Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(p-tolylsulfonyl)-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(4-methylphenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C17H27N2O3S+
MOLECULAR WEIGHT: 339.47288
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@@H]3CCCCO3
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Product OPENEYE NAME: 1-(p-tolylsulfonyl)-4-[[(2S)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[(2S)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(4-methylphenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C17H26N2O3S
MOLECULAR WEIGHT: 338.46494
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@@H]3CCCCO3
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Product OPENEYE NAME: methyl 4,5-dimethyl-2-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]thiophene-3-carboxylate
CAS Name: 4,5-dimethyl-2-[[[[(1R,2R)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4,5-dimethyl-2-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4,5-dimethyl-2-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H24N2O2S2
MOLECULAR WEIGHT: 340.50396
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC
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Product OPENEYE NAME: [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO6S
MOLECULAR WEIGHT: 401.43296
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2)C
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Product OPENEYE NAME: 1-(p-tolylsulfonyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazin-4-ium
CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazin-4-ium
IUPAC NAME: 1-(4-methylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazin-4-ium
MOLECULAR FORMULA: C17H27N2O3S+
MOLECULAR WEIGHT: 339.47288
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H]3CCCCO3
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Product OPENEYE NAME: 1-(p-tolylsulfonyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperazine
CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[(2R)-2-oxanyl]methyl]piperazine
IUPAC NAME: 1-(4-methylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-4-[[(2R)-oxan-2-yl]methyl]piperazine
MOLECULAR FORMULA: C17H26N2O3S
MOLECULAR WEIGHT: 338.46494
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@H]3CCCCO3
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Product OPENEYE NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(4-propanoylphenoxy)acetate
CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(4-propanoylphenoxy)acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl] 2-(4-propanoylphenoxy)ethanoate
MOLECULAR FORMULA: C23H23NO6
MOLECULAR WEIGHT: 409.43182
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)C2=CC=C(C=C2)N3CCCC3=O
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Product OPENEYE NAME: methyl 4,5-dimethyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]thiophene-3-carboxylate
CAS Name: 4,5-dimethyl-2-[[[[(1S,2R)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4,5-dimethyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4,5-dimethyl-2-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H24N2O2S2
MOLECULAR WEIGHT: 340.50396
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC
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Product OPENEYE NAME: (2R)-2-[[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide
CAS Name: (2R)-2-[[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide
IUPAC NAME: (2R)-2-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]-N-propylpropanamide
SYSTEMATIC NAME: (2R)-2-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide
MOLECULAR FORMULA: C15H18ClFN2O2
MOLECULAR WEIGHT: 312.767023
SMILES: CCCNC(=O)[C@@H](C)NC(=O)/C=C/C1=CC(=C(C=C1)F)Cl
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Product OPENEYE NAME: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium
CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
IUPAC NAME: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
SYSTEMATIC NAME: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium
MOLECULAR FORMULA: C21H29N2O4S+
MOLECULAR WEIGHT: 405.53096
SMILES: CCOC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazine
CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
IUPAC NAME: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C21H28N2O4S
MOLECULAR WEIGHT: 404.52302
SMILES: CCOC1=CC=C(C=C1)OCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: methyl 4,5-dimethyl-2-[[(1R,2S)-2-methylcyclohexyl]carbamothioylamino]thiophene-3-carboxylate
CAS Name: 4,5-dimethyl-2-[[[[(1R,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4,5-dimethyl-2-[[(1R,2S)-2-methylcyclohexyl]carbamothioylamino]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4,5-dimethyl-2-[[(1R,2S)-2-methylcyclohexyl]carbamothioylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H24N2O2S2
MOLECULAR WEIGHT: 340.50396
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC
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