Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C19H29N3O3S
MOLECULAR WEIGHT: 379.51686
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (3S,7aS)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CAS Name: (3S,7aS)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
IUPAC NAME: (3S,7aS)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SYSTEMATIC NAME: (3S,7aS)-N-(3,4-dimethylphenyl)-5-oxidanylidene-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
MOLECULAR FORMULA: C21H22N2O2S
MOLECULAR WEIGHT: 366.47658
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4)C
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H30N3O3S+
MOLECULAR WEIGHT: 380.5248
SMILES: C[C@@H]1CCCC[C@@H]1NC(=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-[(1S,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C19H29N3O3S
MOLECULAR WEIGHT: 379.51686
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C19H30N3O3S+
MOLECULAR WEIGHT: 380.5248
SMILES: C[C@H]1CCCC[C@@H]1NC(=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-[(1S,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: N-[(1S,2S)-2-methylcyclohexyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C19H29N3O3S
MOLECULAR WEIGHT: 379.51686
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-2-(4-oxothiazolidin-3-yl)acetamide
CAS Name: N-(3,4-dimethylphenyl)-2-(4-oxo-3-thiazolidinyl)acetamide
IUPAC NAME: N-(3,4-dimethylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-(4-oxidanylidene-1,3-thiazolidin-3-yl)ethanamide
MOLECULAR FORMULA: C13H16N2O2S
MOLECULAR WEIGHT: 264.34334
SMILES: CC1=C(C=C(C=C1)NC(=O)CN2CSCC2=O)C
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N,N-diisopropyl-acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C18H30N3O3S+
MOLECULAR WEIGHT: 368.5141
SMILES: CC(C)N(C(C)C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-diisopropyl-acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N,N-di(propan-2-yl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(phenylsulfonyl)piperazin-1-yl]-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C18H29N3O3S
MOLECULAR WEIGHT: 367.50616
SMILES: CC(C)N(C(C)C)C(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholino-benzamide
CAS Name: N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzamide
IUPAC NAME: N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzamide
MOLECULAR FORMULA: C21H27N3O4S
MOLECULAR WEIGHT: 417.52178
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCOCC3)C
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Product OPENEYE NAME: (E)-3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
CAS Name: (E)-3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-propenamide
IUPAC NAME: (E)-3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
MOLECULAR FORMULA: C20H22FNO3S
MOLECULAR WEIGHT: 375.456983
SMILES: COC1=CC=CC(=C1OC)/C=C/C(=O)NCCSCC2=CC=CC=C2F
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Product OPENEYE NAME: 2-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-butyl-quinazolin-4-one
CAS Name: 2-[[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-3-butyl-4-quinazolinone
IUPAC NAME: 2-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-3-butylquinazolin-4-one
SYSTEMATIC NAME: 3-butyl-2-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one
MOLECULAR FORMULA: C23H27N3O3S
MOLECULAR WEIGHT: 425.54378
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C
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Product OPENEYE NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-furyl)-1,3,4-oxadiazole
CAS Name: 2-[[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)-1,3,4-oxadiazole
IUPAC NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C17H18ClN4O4S+
MOLECULAR WEIGHT: 409.86722
SMILES: C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(2-furyl)-1,3,4-oxadiazole
CAS Name: 2-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-5-(2-furanyl)-1,3,4-oxadiazole
IUPAC NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C17H17ClN4O4S
MOLECULAR WEIGHT: 408.85928
SMILES: C1CN(CCN1CC2=NN=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H19NO4
MOLECULAR WEIGHT: 361.39056
SMILES: CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC4=CC=CC=C4OC3
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