Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C21H27N3O4S
MOLECULAR WEIGHT: 417.52178
SMILES: COC1=CC=C(C=C1)CCNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester
IUPAC NAME: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexylmethyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(cyclohexylmethyl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(cyclohexylmethyl)acetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H30N3O3S+
MOLECULAR WEIGHT: 380.5248
SMILES: C1CCC(CC1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(cyclohexylmethyl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C19H29N3O3S
MOLECULAR WEIGHT: 379.51686
SMILES: C1CCC(CC1)CNC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2R)-2-(4-bromophenoxy)-N-(3,4-dimethylphenyl)propanamide
CAS Name: (2R)-2-(4-bromophenoxy)-N-(3,4-dimethylphenyl)propanamide
IUPAC NAME: (2R)-2-(4-bromophenoxy)-N-(3,4-dimethylphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-bromanylphenoxy)-N-(3,4-dimethylphenyl)propanamide
MOLECULAR FORMULA: C17H18BrNO2
MOLECULAR WEIGHT: 348.23432
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H](C)OC2=CC=C(C=C2)Br)C
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-1,3-benzodioxole-5-carboxamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C17H16FNO3S
MOLECULAR WEIGHT: 333.377243
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3F
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Product OPENEYE NAME: 4-cyano-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CAS Name: 4-cyano-N-[2-[(2-fluorophenyl)methylthio]ethyl]benzamide
IUPAC NAME: 4-cyano-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
SYSTEMATIC NAME: 4-cyano-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
MOLECULAR FORMULA: C17H15FN2OS
MOLECULAR WEIGHT: 314.377203
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)C2=CC=C(C=C2)C#N)F
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-(2-fluorophenyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: N-(2-fluorophenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H18FN3O2S2
MOLECULAR WEIGHT: 379.472123
SMILES: C1CN(CCN1C(=S)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-(4-bromophenoxy)-N-(3,4-dimethylphenyl)propanamide
CAS Name: (2S)-2-(4-bromophenoxy)-N-(3,4-dimethylphenyl)propanamide
IUPAC NAME: (2S)-2-(4-bromophenoxy)-N-(3,4-dimethylphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-bromanylphenoxy)-N-(3,4-dimethylphenyl)propanamide
MOLECULAR FORMULA: C17H18BrNO2
MOLECULAR WEIGHT: 348.23432
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC2=CC=C(C=C2)Br)C
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CAS Name: N-(3,4-dimethylphenyl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
IUPAC NAME: N-(3,4-dimethylphenyl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2,2-bis(oxidanylidene)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
MOLECULAR FORMULA: C18H17N3O3S2
MOLECULAR WEIGHT: 387.47588
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N4CCS(=O)(=O)N=C4S3)C
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Product OPENEYE NAME: methyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CAS Name: 4-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate
MOLECULAR FORMULA: C20H24N3O5S+
MOLECULAR WEIGHT: 418.48666
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]benzoate
CAS Name: 4-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]benzoate
MOLECULAR FORMULA: C20H23N3O5S
MOLECULAR WEIGHT: 417.47872
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-propenamide
IUPAC NAME: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
MOLECULAR FORMULA: C19H20ClNO3
MOLECULAR WEIGHT: 345.82
SMILES: CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC)OC)C
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Product OPENEYE NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,4-dimethoxy-benzamide
CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2,4-dimethoxybenzamide
IUPAC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,4-dimethoxybenzamide
SYSTEMATIC NAME: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,4-dimethoxy-benzamide
MOLECULAR FORMULA: C18H20FNO3S
MOLECULAR WEIGHT: 349.419703
SMILES: COC1=CC(=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F)OC
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Product OPENEYE NAME: [2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(2R)-2-methyl-1-piperidinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: C[C@@H]1CCCCN1C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H17ClFN3O2S2
MOLECULAR WEIGHT: 413.917183
SMILES: C1CN(CCN1C(=S)NC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide
CAS Name: N-(3,4-dimethylphenyl)-2-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]benzamide
IUPAC NAME: N-(3,4-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]benzamide
MOLECULAR FORMULA: C23H23N5OS
MOLECULAR WEIGHT: 417.52662
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2CSC3=NN4C(=CC(=NC4=N3)C)C)C
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-[(1R)-1-methylpropyl]phenyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-[(1R)-1-methylpropyl]phenyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: C[C@H]1CCCCN1C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-(4-chlorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CAS Name: 2-(4-chlorophenoxy)-N-[2-[(2-fluorophenyl)methylthio]ethyl]acetamide
IUPAC NAME: 2-(4-chlorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]ethanamide
MOLECULAR FORMULA: C17H17ClFNO2S
MOLECULAR WEIGHT: 353.838783
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)COC2=CC=C(C=C2)Cl)F
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Product OPENEYE NAME: 4-(benzenesulfonyl)-N-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide
CAS Name: 4-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: N-(3-chloranyl-4-methyl-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H20ClN3O2S2
MOLECULAR WEIGHT: 409.9533
SMILES: CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C22H30N3O3S+
MOLECULAR WEIGHT: 416.5569
SMILES: CC[C@H](C)C1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H29N3O3S
MOLECULAR WEIGHT: 415.54896
SMILES: CC[C@H](C)C1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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