Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-isobutyl-acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide
SYSTEMATIC NAME: N-(2-methylpropyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C16H26N3O3S+
MOLECULAR WEIGHT: 340.46094
SMILES: CC(C)CNC(=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-isobutyl-acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-methylpropyl)acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SYSTEMATIC NAME: N-(2-methylpropyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C16H25N3O3S
MOLECULAR WEIGHT: 339.453
SMILES: CC(C)CNC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 3-butyl-2-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]quinazolin-4-one
CAS Name: 3-butyl-2-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-4-quinazolinone
IUPAC NAME: 3-butyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
SYSTEMATIC NAME: 3-butyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
MOLECULAR FORMULA: C20H19N3O2S2
MOLECULAR WEIGHT: 397.51376
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NOC(=C3)C4=CC=CS4
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Product OPENEYE NAME: 2-(4-bromophenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CAS Name: 2-(4-bromophenyl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]acetamide
IUPAC NAME: 2-(4-bromophenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SYSTEMATIC NAME: 2-(4-bromophenyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]ethanamide
MOLECULAR FORMULA: C17H17BrFNOS
MOLECULAR WEIGHT: 382.290383
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)CC2=CC=C(C=C2)Br)F
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-pentan-3-ylacetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-pentan-3-ylacetamide
SYSTEMATIC NAME: N-pentan-3-yl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C17H28N3O3S+
MOLECULAR WEIGHT: 354.48752
SMILES: CCC(CC)NC(=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-(1-ethylpropyl)acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-pentan-3-ylacetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-pentan-3-ylacetamide
SYSTEMATIC NAME: N-pentan-3-yl-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C17H27N3O3S
MOLECULAR WEIGHT: 353.47958
SMILES: CCC(CC)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 5-(diethylsulfamoyl)-N-(3,4-dimethylphenyl)-2-methyl-benzamide
CAS Name: 5-(diethylsulfamoyl)-N-(3,4-dimethylphenyl)-2-methylbenzamide
IUPAC NAME: 5-(diethylsulfamoyl)-N-(3,4-dimethylphenyl)-2-methylbenzamide
SYSTEMATIC NAME: 5-(diethylsulfamoyl)-N-(3,4-dimethylphenyl)-2-methyl-benzamide
MOLECULAR FORMULA: C20H26N2O3S
MOLECULAR WEIGHT: 374.49704
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NC2=CC(=C(C=C2)C)C
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Product OPENEYE NAME: [(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO5
MOLECULAR WEIGHT: 367.39514
SMILES: C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1-methylbutyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2R)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2R)-pentan-2-yl]acetamide
SYSTEMATIC NAME: N-[(2R)-pentan-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C17H28N3O3S+
MOLECULAR WEIGHT: 354.48752
SMILES: CCC[C@@H](C)NC(=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-[(1R)-1-methylbutyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(2R)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
SYSTEMATIC NAME: N-[(2R)-pentan-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C17H27N3O3S
MOLECULAR WEIGHT: 353.47958
SMILES: CCC[C@@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-chloro-N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide
CAS Name: 2-chloro-N-(3,4-dimethylphenyl)-5-(1-pyrrolidinylsulfonyl)benzamide
IUPAC NAME: 2-chloro-N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C19H21ClN2O3S
MOLECULAR WEIGHT: 392.89964
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)C
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Product OPENEYE NAME: (2S)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2S)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2S)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C21H27N5O2S
MOLECULAR WEIGHT: 413.53638
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@@H](C)C(=O)NC3=C(N(N=C3C)C)C
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylbutyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2S)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
SYSTEMATIC NAME: N-[(2S)-pentan-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C17H28N3O3S+
MOLECULAR WEIGHT: 354.48752
SMILES: CCC[C@H](C)NC(=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-[(1S)-1-methylbutyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(2S)-pentan-2-yl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
SYSTEMATIC NAME: N-[(2S)-pentan-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C17H27N3O3S
MOLECULAR WEIGHT: 353.47958
SMILES: CCC[C@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: (3R,7aR)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CAS Name: (3R,7aR)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
IUPAC NAME: (3R,7aR)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SYSTEMATIC NAME: (3R,7aR)-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: 3-(4-chlorophenyl)sulfonyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CAS Name: 3-(4-chlorophenyl)sulfonyl-N-[2-[(2-fluorophenyl)methylthio]ethyl]propanamide
IUPAC NAME: 3-(4-chlorophenyl)sulfonyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
SYSTEMATIC NAME: 3-(4-chlorophenyl)sulfonyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
MOLECULAR FORMULA: C18H19ClFNO3S2
MOLECULAR WEIGHT: 415.929763
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)F
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Product OPENEYE NAME: (3S,7aR)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CAS Name: (3S,7aR)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
IUPAC NAME: (3S,7aR)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SYSTEMATIC NAME: (3S,7aR)-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: (2R)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CAS Name: (2R)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide
IUPAC NAME: (2R)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SYSTEMATIC NAME: (2R)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
MOLECULAR FORMULA: C21H27N5O2S
MOLECULAR WEIGHT: 413.53638
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=C(N(N=C3C)C)C
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: N-[(1R,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-[(1R,2R)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: N-[(1R,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: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO5
MOLECULAR WEIGHT: 367.39514
SMILES: C[C@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: (3R,7aS)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
CAS Name: (3R,7aS)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
IUPAC NAME: (3R,7aS)-N-(3,4-dimethylphenyl)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SYSTEMATIC NAME: (3R,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-[(1R,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: N-[(1R,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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