Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CAS Name: 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dimethylphenyl)acetamide
IUPAC NAME: 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C18H20N2O3
MOLECULAR WEIGHT: 312.363
SMILES: CC1=C(C=C(C=C1)NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C
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Product OPENEYE NAME: methyl 1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxylate
CAS Name: 1-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(4-methoxyphenyl)methylcarbamothioyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H22N2O3S
MOLECULAR WEIGHT: 322.42248
SMILES: COC1=CC=C(C=C1)CNC(=S)N2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 3-[2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]oxazolidin-2-one
CAS Name: 3-[2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-oxazolidinone
IUPAC NAME: 3-[2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C20H17FN4O3S
MOLECULAR WEIGHT: 412.437383
SMILES: C1COC(=O)N1C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4F
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[(1S)-1-(2-chlorophenyl)ethyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C18H22ClN2O2S+
MOLECULAR WEIGHT: 365.89748
SMILES: C[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
SYSTEMATIC NAME: 1-[(1S)-1-(2-chlorophenyl)ethyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C18H21ClN2O2S
MOLECULAR WEIGHT: 364.88954
SMILES: C[C@@H](C1=CC=CC=C1Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[2-(4-chlorophenoxy)-1-oxoethyl]hydrazo]-2-oxoethyl] ester
IUPAC NAME: [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[2-[2-(4-chloranylphenoxy)ethanoyl]hydrazinyl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H17ClN2O6
MOLECULAR WEIGHT: 416.81178
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NNC(=O)COC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-4-ium
CAS Name: 1-(benzenesulfonyl)-4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-4-ium
IUPAC NAME: 1-(benzenesulfonyl)-4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(phenylsulfonyl)piperazin-1-ium
MOLECULAR FORMULA: C18H22ClN2O2S+
MOLECULAR WEIGHT: 365.89748
SMILES: C[C@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(benzenesulfonyl)-4-[(1R)-1-(2-chlorophenyl)ethyl]piperazine
CAS Name: 1-(benzenesulfonyl)-4-[(1R)-1-(2-chlorophenyl)ethyl]piperazine
IUPAC NAME: 1-(benzenesulfonyl)-4-[(1R)-1-(2-chlorophenyl)ethyl]piperazine
SYSTEMATIC NAME: 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(phenylsulfonyl)piperazine
MOLECULAR FORMULA: C18H21ClN2O2S
MOLECULAR WEIGHT: 364.88954
SMILES: C[C@H](C1=CC=CC=C1Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 1-[(2-chloro-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxylate
CAS Name: 1-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2-chloro-5-nitrophenyl)carbamothioyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C14H16ClN3O4S
MOLECULAR WEIGHT: 357.81254
SMILES: COC(=O)C1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl
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Product OPENEYE NAME: N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-4-methoxy-benzamide
CAS Name: N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-4-methoxybenzamide
IUPAC NAME: N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-4-methoxybenzamide
SYSTEMATIC NAME: N-[2-(4-chloranylphenoxy)ethyl]-3-fluoranyl-4-methoxy-benzamide
MOLECULAR FORMULA: C16H15ClFNO3
MOLECULAR WEIGHT: 323.746603
SMILES: COC1=C(C=C(C=C1)C(=O)NCCOC2=CC=C(C=C2)Cl)F
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Product OPENEYE NAME: 1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)cyclopropanecarboxamide
CAS Name: 1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-1-cyclopropanecarboxamide
IUPAC NAME: 1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C18H18ClNO
MOLECULAR WEIGHT: 299.79462
SMILES: CC1=C(C=C(C=C1)NC(=O)C2(CC2)C3=CC=C(C=C3)Cl)C
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Product OPENEYE NAME: methyl 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]benzoate
CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]benzoate
MOLECULAR FORMULA: C19H23N2O4S+
MOLECULAR WEIGHT: 375.46192
SMILES: COC(=O)C1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoate
CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzoate
MOLECULAR FORMULA: C19H22N2O4S
MOLECULAR WEIGHT: 374.45398
SMILES: COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-methyl-4-(p-tolylsulfonyl)piperazine-1-carbothioamide
CAS Name: N-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-methyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-methyl-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C13H19N3O2S2
MOLECULAR WEIGHT: 313.43886
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC
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Product OPENEYE NAME: [2-[2-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[2-(5-chloranyl-2-methoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H17ClN2O6
MOLECULAR WEIGHT: 416.81178
SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H25ClN3O3S+
MOLECULAR WEIGHT: 422.9488
SMILES: C[C@@H](C1=CC=C(C=C1)Cl)NC(=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)-1-(4-chlorophenyl)ethyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H24ClN3O3S
MOLECULAR WEIGHT: 421.94086
SMILES: C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CAS Name: N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
IUPAC NAME: N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)ethanamide
MOLECULAR FORMULA: C16H16FNO
MOLECULAR WEIGHT: 257.302743
SMILES: CC1=C(C=C(C=C1)NC(=O)CC2=CC(=CC=C2)F)C
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Product OPENEYE NAME: N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CAS Name: N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
IUPAC NAME: N-[2-(4-chlorophenoxy)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SYSTEMATIC NAME: N-[2-(4-chloranylphenoxy)ethyl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide
MOLECULAR FORMULA: C18H17ClN2O4
MOLECULAR WEIGHT: 360.79158
SMILES: C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NCCOC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(4-chlorophenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide
CAS Name: N-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H20ClN3O2S2
MOLECULAR WEIGHT: 409.9533
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(4-fluorophenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide
CAS Name: N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H20FN3O2S2
MOLECULAR WEIGHT: 393.498703
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C20H25ClN3O3S+
MOLECULAR WEIGHT: 422.9488
SMILES: C[C@H](C1=CC=C(C=C1)Cl)NC(=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)-1-(4-chlorophenyl)ethyl]acetamide
CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
IUPAC NAME: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C20H24ClN3O3S
MOLECULAR WEIGHT: 421.94086
SMILES: C[C@H](C1=CC=C(C=C1)Cl)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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