Wednesday, April 3, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2-(2,6-dichlorophenyl)thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CAS Name: 2-[2-(2,6-dichlorophenyl)-4-thiazolyl]-N-(4-fluorophenyl)acetamide
IUPAC NAME: 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[2-[2,6-bis(chloranyl)phenyl]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C17H11Cl2FN2OS
MOLECULAR WEIGHT: 381.251443
SMILES: C1=CC(=C(C(=C1)Cl)C2=NC(=CS2)CC(=O)NC3=CC=C(C=C3)F)Cl
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C21H34N3O3S+
MOLECULAR WEIGHT: 408.57796
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide
MOLECULAR FORMULA: C21H33N3O3S
MOLECULAR WEIGHT: 407.57002
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C22H31N3OS+2
MOLECULAR WEIGHT: 385.56604
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)SC
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H29N3OS
MOLECULAR WEIGHT: 383.55016
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-diisopropyl-acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C20H34N3O3S+
MOLECULAR WEIGHT: 396.56726
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C(C)C)C(C)C
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-diisopropyl-acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N,N-di(propan-2-yl)acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)ethanamide
MOLECULAR FORMULA: C20H33N3O3S
MOLECULAR WEIGHT: 395.55932
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)N(C(C)C)C(C)C
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Product OPENEYE NAME: (3R)-1-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3R)-1-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3R)-1-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C18H16ClFN2O2
MOLECULAR WEIGHT: 346.783243
SMILES: C1[C@H](CN(C1=O)CC2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate
CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate
SYSTEMATIC NAME: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate
MOLECULAR FORMULA: C16H23ClN2O5S
MOLECULAR WEIGHT: 390.88222
SMILES: CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: [(1S)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C23H25NO4
MOLECULAR WEIGHT: 379.4489
SMILES: CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(4-bromophenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C16H24BrN2O3S+
MOLECULAR WEIGHT: 404.34236
SMILES: C1CCO[C@@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(4-bromophenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C16H23BrN2O3S
MOLECULAR WEIGHT: 403.33442
SMILES: C1CCO[C@@H](C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: (3S)-1-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-1-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-1-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-1-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C18H16ClFN2O2
MOLECULAR WEIGHT: 346.783243
SMILES: C1[C@@H](CN(C1=O)CC2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-(p-tolylsulfanyl)ethyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-methylphenyl)thio]ethyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylethyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylethyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C23H33N3OS+2
MOLECULAR WEIGHT: 399.59262
SMILES: CC1=CC=C(C=C1)SCC[NH+]2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[2-(p-tolylsulfanyl)ethyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-methylphenyl)thio]ethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylethyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylethyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C23H31N3OS
MOLECULAR WEIGHT: 397.57674
SMILES: CC1=CC=C(C=C1)SCCN2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C
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Product OPENEYE NAME: [2-(3-methoxyanilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate
CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-methoxyanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate
SYSTEMATIC NAME: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate
MOLECULAR FORMULA: C16H24N2O6S
MOLECULAR WEIGHT: 372.43656
SMILES: CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=CC(=CC=C1)OC
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Product OPENEYE NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(4-bromophenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C16H24BrN2O3S+
MOLECULAR WEIGHT: 404.34236
SMILES: C1CCO[C@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(4-bromophenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(4-bromophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C16H23BrN2O3S
MOLECULAR WEIGHT: 403.33442
SMILES: C1CCO[C@H](C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CAS Name: 2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-N-(4-fluorophenyl)acetamide
IUPAC NAME: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C19H17FN2O3S
MOLECULAR WEIGHT: 372.413283
SMILES: COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NC3=CC=C(C=C3)F)OC
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