Saturday, October 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinoline
CAS Name: 4-[4-[2-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]-2-(trifluoromethyl)quinoline
IUPAC NAME: 4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 2-(trifluoromethyl)-4-[4-[2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]quinoline
MOLECULAR FORMULA: C21H17F6N3O3S
MOLECULAR WEIGHT: 505.433399
SMILES: C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4OC(F)(F)F
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Product OPENEYE NAME: [4-(7-chloro-4-quinolyl)piperazin-1-yl]-(2-thienyl)methanone
CAS Name: [4-(7-chloro-4-quinolinyl)-1-piperazinyl]-thiophen-2-ylmethanone
IUPAC NAME: [4-(7-chloroquinolin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [4-(7-chloranylquinolin-4-yl)piperazin-1-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C18H16ClN3OS
MOLECULAR WEIGHT: 357.85714
SMILES: C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)C4=CC=CS4
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Product OPENEYE NAME: cyclobutyl-[4-[2-(trifluoromethyl)-4-quinolyl]piperazin-1-yl]methanone
CAS Name: cyclobutyl-[4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl]methanone
IUPAC NAME: cyclobutyl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SYSTEMATIC NAME: cyclobutyl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C19H20F3N3O
MOLECULAR WEIGHT: 363.37681
SMILES: C1CC(C1)C(=O)N2CCN(CC2)C3=CC(=NC4=CC=CC=C43)C(F)(F)F
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Product OPENEYE NAME: N-(2,5-diethoxy-4-morpholino-phenyl)-4-methoxy-benzenesulfonamide
CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-4-methoxybenzenesulfonamide
IUPAC NAME: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxybenzenesulfonamide
SYSTEMATIC NAME: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-4-methoxy-benzenesulfonamide
MOLECULAR FORMULA: C21H28N2O6S
MOLECULAR WEIGHT: 436.52182
SMILES: CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NS(=O)(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [4-(dimethylamino)phenyl]-[4-[2-(trifluoromethyl)-4-quinolyl]piperazin-1-yl]methanone
CAS Name: [4-(dimethylamino)phenyl]-[4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl]methanone
IUPAC NAME: [4-(dimethylamino)phenyl]-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
SYSTEMATIC NAME: [4-(dimethylamino)phenyl]-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C23H23F3N4O
MOLECULAR WEIGHT: 428.45013
SMILES: CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=NC4=CC=CC=C43)C(F)(F)F
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Product OPENEYE NAME: methyl 3-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]sulfamoyl]thiophene-2-carboxylate
CAS Name: 3-[[2-[(7-methyl-4-thieno[3,2-d]pyrimidinyl)thio]phenyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]sulfamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]sulfamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C19H15N3O4S4
MOLECULAR WEIGHT: 477.6001
SMILES: CC1=CSC2=C1N=CN=C2SC3=CC=CC=C3NS(=O)(=O)C4=C(SC=C4)C(=O)OC
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Product OPENEYE NAME: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinoline
CAS Name: 4-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-2-(trifluoromethyl)quinoline
IUPAC NAME: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C20H17BrF3N3O2S
MOLECULAR WEIGHT: 500.33209
SMILES: C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)S(=O)(=O)C4=CC(=CC=C4)Br
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Product OPENEYE NAME: N-(1,3-benzodioxol-4-yl)-2-methyl-quinolin-4-amine
CAS Name: N-(1,3-benzodioxol-4-yl)-2-methyl-4-quinolinamine
IUPAC NAME: N-(1,3-benzodioxol-4-yl)-2-methylquinolin-4-amine
SYSTEMATIC NAME: N-(1,3-benzodioxol-4-yl)-2-methyl-quinolin-4-amine
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: CC1=NC2=CC=CC=C2C(=C1)NC3=C4C(=CC=C3)OCO4
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Product OPENEYE NAME: methyl 3-[(3-bromo-5-methyl-2-pyridyl)sulfamoyl]thiophene-2-carboxylate
CAS Name: 3-[(3-bromo-5-methyl-2-pyridinyl)sulfamoyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[(3-bromo-5-methylpyridin-2-yl)sulfamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(3-bromanyl-5-methyl-pyridin-2-yl)sulfamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C12H11BrN2O4S2
MOLECULAR WEIGHT: 391.26074
SMILES: CC1=CC(=C(N=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)OC)Br
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Product OPENEYE NAME: N-(3-bromo-5-methyl-2-pyridyl)-4-fluoro-benzenesulfonamide
CAS Name: N-(3-bromo-5-methyl-2-pyridinyl)-4-fluorobenzenesulfonamide
IUPAC NAME: N-(3-bromo-5-methylpyridin-2-yl)-4-fluorobenzenesulfonamide
SYSTEMATIC NAME: N-(3-bromanyl-5-methyl-pyridin-2-yl)-4-fluoranyl-benzenesulfonamide
MOLECULAR FORMULA: C12H10BrFN2O2S
MOLECULAR WEIGHT: 345.187403
SMILES: CC1=CC(=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)F)Br
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Product OPENEYE NAME: N-(3-bromo-5-methyl-2-pyridyl)benzenesulfonamide
CAS Name: N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide
IUPAC NAME: N-(3-bromo-5-methylpyridin-2-yl)benzenesulfonamide
SYSTEMATIC NAME: N-(3-bromanyl-5-methyl-pyridin-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C12H11BrN2O2S
MOLECULAR WEIGHT: 327.19694
SMILES: CC1=CC(=C(N=C1)NS(=O)(=O)C2=CC=CC=C2)Br
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Product OPENEYE NAME: N-(3-bromo-5-methyl-2-pyridyl)-4-chloro-benzenesulfonamide
CAS Name: N-(3-bromo-5-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
IUPAC NAME: N-(3-bromo-5-methylpyridin-2-yl)-4-chlorobenzenesulfonamide
SYSTEMATIC NAME: N-(3-bromanyl-5-methyl-pyridin-2-yl)-4-chloranyl-benzenesulfonamide
MOLECULAR FORMULA: C12H10BrClN2O2S
MOLECULAR WEIGHT: 361.642
SMILES: CC1=CC(=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)Br
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Product OPENEYE NAME: 1-(5-chlorobenzofuran-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethanone
CAS Name: 1-(5-chloro-2-benzofuranyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethanone
IUPAC NAME: 1-(5-chloro-1-benzofuran-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethanone
SYSTEMATIC NAME: 1-(5-chloranyl-1-benzofuran-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)ethanone
MOLECULAR FORMULA: C19H16ClNO4
MOLECULAR WEIGHT: 357.78764
SMILES: C1COC2=C(C=C(C=C2)NCC(=O)C3=CC4=C(O3)C=CC(=C4)Cl)OC1
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Product OPENEYE NAME: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-5-oxo-3-(3,4,5-trimethoxyphenyl)hexanoic acid
CAS Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-5-oxo-3-(3,4,5-trimethoxyphenyl)hexanoic acid
IUPAC NAME: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-5-oxo-3-(3,4,5-trimethoxyphenyl)hexanoic acid
SYSTEMATIC NAME: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-5-oxidanylidene-3-(3,4,5-trimethoxyphenyl)hexanoic acid
MOLECULAR FORMULA: C24H29NO8
MOLECULAR WEIGHT: 459.48896
SMILES: COC1=CC(=CC(=C1OC)OC)C(CC(=O)CNC2=CC3=C(C=C2)OCCCO3)CC(=O)O
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Product OPENEYE NAME: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C13H15NO5S
MOLECULAR WEIGHT: 297.3269
SMILES: C1COC2=C(C=C(C=C2)NC(=O)CSCC(=O)O)OC1
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Product OPENEYE NAME: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C13H15NO6
MOLECULAR WEIGHT: 281.2613
SMILES: C1COC2=C(C=C(C=C2)NC(=O)COCC(=O)O)OC1
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Product OPENEYE NAME: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H21NO5
MOLECULAR WEIGHT: 307.34164
SMILES: CC(C)(CC(=O)NC1=CC2=C(C=C1)OCCCO2)CC(=O)O
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Product OPENEYE NAME: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxo-butanoic acid
CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid
IUPAC NAME: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C13H15NO5
MOLECULAR WEIGHT: 265.2619
SMILES: C1COC2=C(C=C(C=C2)NC(=O)CCC(=O)O)OC1
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Product OPENEYE NAME: 2-[2-oxo-2-[2-(1-piperidyl)anilino]ethyl]sulfanylacetic acid
CAS Name: 2-[[2-oxo-2-[2-(1-piperidinyl)anilino]ethyl]thio]acetic acid
IUPAC NAME: 2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[(2-piperidin-1-ylphenyl)amino]ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C15H20N2O3S
MOLECULAR WEIGHT: 308.3959
SMILES: C1CCN(CC1)C2=CC=CC=C2NC(=O)CSCC(=O)O
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Product OPENEYE NAME: 3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]chromen-4-one
CAS Name: 3-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-benzopyran-4-one
IUPAC NAME: 3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]chromen-4-one
SYSTEMATIC NAME: 3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]chromen-4-one
MOLECULAR FORMULA: C19H17FN2O4S
MOLECULAR WEIGHT: 388.412683
SMILES: C1CN(CCN1C2=COC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 3-[4-(benzenesulfonyl)piperazin-1-yl]chromen-4-one
CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-1-benzopyran-4-one
IUPAC NAME: 3-[4-(benzenesulfonyl)piperazin-1-yl]chromen-4-one
SYSTEMATIC NAME: 3-[4-(phenylsulfonyl)piperazin-1-yl]chromen-4-one
MOLECULAR FORMULA: C19H18N2O4S
MOLECULAR WEIGHT: 370.42222
SMILES: C1CN(CCN1C2=COC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]chromen-4-one
CAS Name: 3-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-benzopyran-4-one
IUPAC NAME: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]chromen-4-one
SYSTEMATIC NAME: 3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]chromen-4-one
MOLECULAR FORMULA: C19H17ClN2O4S
MOLECULAR WEIGHT: 404.86728
SMILES: C1CN(CCN1C2=COC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: methyl 4-[4-(4-oxochromen-3-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate
CAS Name: 4-[[4-(4-oxo-1-benzopyran-3-yl)-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-[4-(4-oxochromen-3-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-[4-(4-oxidanylidenechromen-3-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate
MOLECULAR FORMULA: C19H18N2O6S2
MOLECULAR WEIGHT: 434.48602
SMILES: COC(=O)C1=CSC=C1S(=O)(=O)N2CCN(CC2)C3=COC4=CC=CC=C4C3=O
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