Sunday, March 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C16H24ClN2O3S+
MOLECULAR WEIGHT: 359.89136
SMILES: C1CCO[C@@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C16H23ClN2O3S
MOLECULAR WEIGHT: 358.88342
SMILES: C1CCO[C@@H](C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (3S)-3-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-propanamide
CAS Name: (3S)-3-acetamido-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-phenylpropanamide
IUPAC NAME: (3S)-3-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide
SYSTEMATIC NAME: (3S)-3-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-propanamide
MOLECULAR FORMULA: C20H23FN2O2S
MOLECULAR WEIGHT: 374.472223
SMILES: CC(=O)N[C@@H](CC(=O)NCCSCC1=CC=CC=C1F)C2=CC=CC=C2
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate
CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate
MOLECULAR FORMULA: C21H24N4O5
MOLECULAR WEIGHT: 412.43906
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CAS Name: (1R)-N-(3,4-dimethylphenyl)-1-cyclohex-3-enecarboxamide
IUPAC NAME: (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
SYSTEMATIC NAME: (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCC=CC2)C
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Product OPENEYE NAME: [2-[[4-(2-ethoxy-2-oxo-ethyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[4-(2-ethoxy-2-oxoethyl)-2-thiazolyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H18N2O6S
MOLECULAR WEIGHT: 402.42102
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C16H24ClN2O3S+
MOLECULAR WEIGHT: 359.89136
SMILES: C1CCO[C@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C16H23ClN2O3S
MOLECULAR WEIGHT: 358.88342
SMILES: C1CCO[C@H](C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (1S)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CAS Name: (1S)-N-(3,4-dimethylphenyl)-1-cyclohex-3-enecarboxamide
IUPAC NAME: (1S)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
SYSTEMATIC NAME: (1S)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H]2CCC=CC2)C
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2,2,2-trifluoroethyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C14H18ClF3N3O3S+
MOLECULAR WEIGHT: 400.82423
SMILES: C1CN(CC[NH+]1CC(=O)NCC(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2,2,2-trifluoroethyl)acetamide
IUPAC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C14H17ClF3N3O3S
MOLECULAR WEIGHT: 399.81629
SMILES: C1CN(CCN1CC(=O)NCC(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (3R)-3-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-propanamide
CAS Name: (3R)-3-acetamido-N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-phenylpropanamide
IUPAC NAME: (3R)-3-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-phenylpropanamide
SYSTEMATIC NAME: (3R)-3-acetamido-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-propanamide
MOLECULAR FORMULA: C20H23FN2O2S
MOLECULAR WEIGHT: 374.472223
SMILES: CC(=O)N[C@H](CC(=O)NCCSCC1=CC=CC=C1F)C2=CC=CC=C2
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