Saturday, December 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: isopropyl (2S)-2-[[(4-chlorophenoxy)-[[(2R,3R,4R,5S)-5-(6,8-diamino-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CAS Name: (2S)-2-[[(4-chlorophenoxy)-[[(2R,3R,4R,5S)-5-(6,8-diamino-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy]phosphoryl]amino]propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S)-2-[[(4-chlorophenoxy)-[[(2R,3R,4R,5S)-5-(6,8-diamino-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phosphoryl]amino]propanoate
SYSTEMATIC NAME: propan-2-yl (2S)-2-[[[(2R,3R,4R,5S)-5-[6,8-bis(azanyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(4-chloranylphenoxy)phosphoryl]amino]propanoate
MOLECULAR FORMULA: C22H30ClN8O8P
MOLECULAR WEIGHT: 600.949161
SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)C2=NN=C3N2N=C(N=C3N)N)(C)O)O)OC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[(4-phenoxyphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(4-phenoxyphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(4-phenoxyphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(4-phenoxyphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C22H15Cl2N3O4
MOLECULAR WEIGHT: 456.2782
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)ON3
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[(3,4-difluorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(3,4-difluorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(3,4-difluorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[3,4-bis(fluoranyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C16H9Cl2F2N3O3
MOLECULAR WEIGHT: 400.163766
SMILES: C1=CC(=C(C=C1CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2)F)F
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-(p-tolylmethyl)-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(4-methylphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(4-methylphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(4-methylphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H13Cl2N3O3
MOLECULAR WEIGHT: 378.20942
SMILES: CC1=CC=C(C=C1)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: N-[(2-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: N-[(2-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: N-[(2-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(2-chlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C16H10Cl3N3O3
MOLECULAR WEIGHT: 398.6279
SMILES: C1=CC=C(C(=C1)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2)Cl
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Product OPENEYE NAME: N-[(4-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: N-[(4-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: N-[(4-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(4-chlorophenyl)methyl]-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H12Cl3N3O3
MOLECULAR WEIGHT: 412.65448
SMILES: CN(CC1=CC=C(C=C1)Cl)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[(3,5-dichlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(3,5-dichlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(3,5-dichlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[3,5-bis(chloranyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C16H9Cl4N3O3
MOLECULAR WEIGHT: 433.07296
SMILES: C1=C(C=C(C=C1Cl)Cl)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: N-[(3-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: N-[(3-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: N-[(3-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(3-chlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C16H10Cl3N3O3
MOLECULAR WEIGHT: 398.6279
SMILES: C1=CC(=CC(=C1)Cl)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)-N-methyl-benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-methylbenzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-methylbenzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-methyl-benzamide
MOLECULAR FORMULA: C22H21F2IN4O4S
MOLECULAR WEIGHT: 602.392816
SMILES: CNC(=O)C1=C(C=C(C=C1NC2=C(C=C(C=C2)I)F)F)OC3=CC=CC(=C3)NS(=O)(=O)N(C)C
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)-N-(2-hydroxyethyl)benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C23H23F2IN4O5S
MOLECULAR WEIGHT: 632.418796
SMILES: CN(C)S(=O)(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)NCCO
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)-N-(2-hydroxypropyl)benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-(2-hydroxypropyl)benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-(2-hydroxypropyl)benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-(2-oxidanylpropyl)benzamide
MOLECULAR FORMULA: C24H25F2IN4O5S
MOLECULAR WEIGHT: 646.445376
SMILES: CC(CNC(=O)C1=C(C=C(C=C1NC2=C(C=C(C=C2)I)F)F)OC3=CC=CC(=C3)NS(=O)(=O)N(C)C)O
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Product OPENEYE NAME: 5-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]-1-methyl-cyclohexa-2,4-diene-1,2-dicarboxylic acid
CAS Name: 5-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]-1-methylcyclohexa-2,4-diene-1,2-dicarboxylic acid
IUPAC NAME: 5-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]-1-methylcyclohexa-2,4-diene-1,2-dicarboxylic acid
SYSTEMATIC NAME: 5-[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]-1-methyl-cyclohexa-2,4-diene-1,2-dicarboxylic acid
MOLECULAR FORMULA: C22H17F2IN2O6
MOLECULAR WEIGHT: 570.281456
SMILES: CC1(CC(=CC=C1C(=O)O)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)C(=O)O
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)-N-[(1R)-2-hydroxy-1-methyl-ethyl]benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-[(2R)-1-oxidanylpropan-2-yl]benzamide
MOLECULAR FORMULA: C24H25F2IN4O5S
MOLECULAR WEIGHT: 646.445376
SMILES: C[C@H](CO)NC(=O)C1=C(C=C(C=C1NC2=C(C=C(C=C2)I)F)F)OC3=CC=CC(=C3)NS(=O)(=O)N(C)C
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Product OPENEYE NAME: 3-[5-[2-(3,5-dimethyl-4-phenyl-phenyl)ethoxy]isoindolin-2-yl]cyclobutanecarboxylic acid
CAS Name: 3-[5-[2-(3,5-dimethyl-4-phenylphenyl)ethoxy]-1,3-dihydroisoindol-2-yl]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[5-[2-(3,5-dimethyl-4-phenylphenyl)ethoxy]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[5-[2-(3,5-dimethyl-4-phenyl-phenyl)ethoxy]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C29H31NO3
MOLECULAR WEIGHT: 441.56134
SMILES: CC1=CC(=CC(=C1C2=CC=CC=C2)C)CCOC3=CC4=C(CN(C4)C5CC(C5)C(=O)O)C=C3
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Product OPENEYE NAME: 3-[[5-[5-(2-fluoro-5-methyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]indan-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[5-[5-(2-fluoro-5-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[5-[5-(2-fluoro-5-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[5-[5-(2-fluoranyl-5-methyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C29H26FN3O3
MOLECULAR WEIGHT: 483.533443
SMILES: CC1=C(C=C(C(=C1)C2=NC(=NO2)C3=CC4=C(C=C3)C(CC4)NC5CC(C5)C(=O)O)F)C6=CC=CC=C6
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Product OPENEYE NAME: 3-[[5-[5-[4-(2-cyanophenyl)-3-methyl-phenyl]-1,2,4-oxadiazol-3-yl]indan-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[5-[5-[4-(2-cyanophenyl)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[5-[5-[4-(2-cyanophenyl)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[5-[5-[4-(2-cyanophenyl)-3-methyl-phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C30H26N4O3
MOLECULAR WEIGHT: 490.55244
SMILES: CC1=C(C=CC(=C1)C2=NC(=NO2)C3=CC4=C(C=C3)C(CC4)NC5CC(C5)C(=O)O)C6=CC=CC=C6C#N
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Product OPENEYE NAME: 3-[[5-[5-[2-fluoro-5-methyl-4-(4-methyl-3-thienyl)phenyl]-1,2,4-oxadiazol-3-yl]indan-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[5-[5-[2-fluoro-5-methyl-4-(4-methyl-3-thiophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[5-[5-[2-fluoro-5-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[5-[5-[2-fluoranyl-5-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C28H26FN3O3S
MOLECULAR WEIGHT: 503.587743
SMILES: CC1=C(C=C(C(=C1)C2=NC(=NO2)C3=CC4=C(C=C3)C(CC4)NC5CC(C5)C(=O)O)F)C6=CSC=C6C
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Product OPENEYE NAME: 3-[[5-[5-[4-(3-furyl)-3,5-dimethyl-phenyl]-1,2,4-oxadiazol-3-yl]indan-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[5-[5-[4-(3-furanyl)-3,5-dimethylphenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[5-[5-[4-(furan-3-yl)-3,5-dimethylphenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[5-[5-[4-(furan-3-yl)-3,5-dimethyl-phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C28H27N3O4
MOLECULAR WEIGHT: 469.53168
SMILES: CC1=CC(=CC(=C1C2=COC=C2)C)C3=NC(=NO3)C4=CC5=C(C=C4)C(CC5)NC6CC(C6)C(=O)O
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Product OPENEYE NAME: N-[[(2S)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-1-amine
CAS Name: N-[[(2S)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-1-propanamine
IUPAC NAME: N-[[(2S)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-1-amine
SYSTEMATIC NAME: N-[[(2S)-5-fluoranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-1-amine
MOLECULAR FORMULA: C13H18FNO4S
MOLECULAR WEIGHT: 303.349723
SMILES: CCCNC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)F
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Product OPENEYE NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
CAS Name: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
IUPAC NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
SYSTEMATIC NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
MOLECULAR FORMULA: C12H14F3NO4S
MOLECULAR WEIGHT: 325.30407
SMILES: CCNC[C@H]1COC2=C(O1)C=C(C=C2)S(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]prop-2-en-1-amine
CAS Name: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-propen-1-amine
IUPAC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]prop-2-en-1-amine
SYSTEMATIC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]prop-2-en-1-amine
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)OCC(O2)CNCC=C
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Product OPENEYE NAME: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
CAS Name: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
IUPAC NAME: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C14H21NO4S
MOLECULAR WEIGHT: 299.38584
SMILES: CCN(CC)CC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 2-methoxy-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
CAS Name: 2-methoxy-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
IUPAC NAME: 2-methoxy-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
SYSTEMATIC NAME: 2-methoxy-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C13H19NO5S
MOLECULAR WEIGHT: 301.35866
SMILES: COCCNCC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: N-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
CAS Name: N-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
IUPAC NAME: N-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C13H19NO4S
MOLECULAR WEIGHT: 285.35926
SMILES: CCN(C)CC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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