Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-(1,3-benzodioxol-5-yl)-5-[[2-(3-thienyl)thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[[2-(3-thiophenyl)-4-thiazolyl]methylthio]-1,3,4-oxadiazole
IUPAC NAME: 2-(1,3-benzodioxol-5-yl)-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C17H11N3O3S3
MOLECULAR WEIGHT: 401.48254
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CSC(=N4)C5=CSC=C5
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-isopropyl-piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-propan-2-yl-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-propan-2-ylpiperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-propan-2-yl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C16H25N3O2S2
MOLECULAR WEIGHT: 355.5186
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC(C)C)C
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H25N3O2S2
MOLECULAR WEIGHT: 367.5293
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C)C
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Product OPENEYE NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-fluoro-4-methoxy-benzamide
CAS Name: N-(2,3-dimethyl-5-sulfamoylphenyl)-2-fluoro-4-methoxybenzamide
IUPAC NAME: N-(2,3-dimethyl-5-sulfamoylphenyl)-2-fluoro-4-methoxybenzamide
SYSTEMATIC NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-fluoranyl-4-methoxy-benzamide
MOLECULAR FORMULA: C16H17FN2O4S
MOLECULAR WEIGHT: 352.380583
SMILES: CC1=CC(=CC(=C1C)NC(=O)C2=C(C=C(C=C2)OC)F)S(=O)(=O)N
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C20H27N2O4S+
MOLECULAR WEIGHT: 391.50438
SMILES: CCOC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[2-(4-ethoxyphenoxy)ethyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[2-(4-ethoxyphenoxy)ethyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[2-(4-ethoxyphenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C20H26N2O4S
MOLECULAR WEIGHT: 390.49644
SMILES: CCOC1=CC=C(C=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[(4-bromo-2-fluoro-phenyl)methyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[(4-bromo-2-fluorophenyl)methyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[(4-bromo-2-fluorophenyl)methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C17H19BrFN2O2S+
MOLECULAR WEIGHT: 414.312363
SMILES: C1CN(CC[NH+]1CC2=C(C=C(C=C2)Br)F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[(4-bromo-2-fluoro-phenyl)methyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[(4-bromo-2-fluorophenyl)methyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[(4-bromo-2-fluorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C17H18BrFN2O2S
MOLECULAR WEIGHT: 413.304423
SMILES: C1CN(CCN1CC2=C(C=C(C=C2)Br)F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)-5-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CAS Name: 2-(3,4-dimethoxyphenyl)-5-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-1,3,4-oxadiazole
IUPAC NAME: 2-(3,4-dimethoxyphenyl)-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C18H15N3O4S2
MOLECULAR WEIGHT: 401.4594
SMILES: COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=NOC(=C3)C4=CC=CS4)OC
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Product OPENEYE NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide
CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,4-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H22FN3O2S2
MOLECULAR WEIGHT: 407.525283
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F)C
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Product OPENEYE NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-(4-methoxyphenyl)sulfanyl-acetamide
CAS Name: N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[(4-methoxyphenyl)thio]acetamide
IUPAC NAME: N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SYSTEMATIC NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-2-(4-methoxyphenyl)sulfanyl-ethanamide
MOLECULAR FORMULA: C17H20N2O4S2
MOLECULAR WEIGHT: 380.4817
SMILES: CC1=CC(=CC(=C1C)NC(=O)CSC2=CC=C(C=C2)OC)S(=O)(=O)N
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Product OPENEYE NAME: phenyl 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethanesulfonate
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethanesulfonic acid phenyl ester
IUPAC NAME: phenyl 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethanesulfonate
SYSTEMATIC NAME: phenyl 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanesulfonate
MOLECULAR FORMULA: C18H23N2O5S2+
MOLECULAR WEIGHT: 411.51562
SMILES: C1CN(CC[NH+]1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: phenyl 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanesulfonate
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]ethanesulfonic acid phenyl ester
IUPAC NAME: phenyl 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanesulfonate
SYSTEMATIC NAME: phenyl 2-[4-(phenylsulfonyl)piperazin-1-yl]ethanesulfonate
MOLECULAR FORMULA: C18H22N2O5S2
MOLECULAR WEIGHT: 410.50768
SMILES: C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H15N3O5
MOLECULAR WEIGHT: 377.3502
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=NN=C(O3)C4=CC=CC=C4
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Product OPENEYE NAME: (2R)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2R)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2R)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2R)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C19H23N5O4S
MOLECULAR WEIGHT: 417.48202
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-3-(4-fluorophenyl)propanamide
CAS Name: N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-fluorophenyl)propanamide
IUPAC NAME: N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-fluorophenyl)propanamide
SYSTEMATIC NAME: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-3-(4-fluorophenyl)propanamide
MOLECULAR FORMULA: C17H19FN2O3S
MOLECULAR WEIGHT: 350.407763
SMILES: CC1=CC(=CC(=C1C)NC(=O)CCC2=CC=C(C=C2)F)S(=O)(=O)N
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Product OPENEYE NAME: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H18O6
MOLECULAR WEIGHT: 354.35332
SMILES: COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2)OC
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Product OPENEYE NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium
CAS Name: 2-[[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium
IUPAC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethylazanium
SYSTEMATIC NAME: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium
MOLECULAR FORMULA: C17H29N4O2S2+
MOLECULAR WEIGHT: 385.56776
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+](C)C)C
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Product OPENEYE NAME: N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
CAS Name: N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H28N4O2S2
MOLECULAR WEIGHT: 384.55982
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCN(C)C)C
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