Tuesday, February 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide
MOLECULAR FORMULA: C20H27N3O3S2
MOLECULAR WEIGHT: 421.57668
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N[C@H](C)C3=CC=CS3)C
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Product OPENEYE NAME: (2S)-N-(3-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(3-methoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(3-methoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(3-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC(=CC=C3)OC
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Product OPENEYE NAME: 4-[(2R)-2-(4-acetyl-2-methoxy-phenoxy)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
CAS Name: 4-[(2R)-2-(4-acetyl-2-methoxyphenoxy)-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one
IUPAC NAME: 4-[(2R)-2-(4-acetyl-2-methoxyphenoxy)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
SYSTEMATIC NAME: 4-[(2R)-2-(4-ethanoyl-2-methoxy-phenoxy)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC3=C(C=C(C=C3)C(=O)C)OC
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium
MOLECULAR FORMULA: C19H24N3O4S+
MOLECULAR WEIGHT: 390.47656
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-])C
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
MOLECULAR FORMULA: C19H23N3O4S
MOLECULAR WEIGHT: 389.46862
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-])C
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Product OPENEYE NAME: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18ClNO5
MOLECULAR WEIGHT: 399.82432
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@H](C)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: (2R)-N-(3-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(3-methoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(3-methoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(3-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC(=CC=C3)OC
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C14H22N3O3S+
MOLECULAR WEIGHT: 312.40778
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C14H21N3O3S
MOLECULAR WEIGHT: 311.39984
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N)C
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Product OPENEYE NAME: 1-[[2-(1-adamantyl)acetyl]amino]-3-(3-chloro-4-fluoro-phenyl)thiourea
CAS Name: 1-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(3-chloro-4-fluorophenyl)thiourea
IUPAC NAME: 1-[[2-(1-adamantyl)acetyl]amino]-3-(3-chloro-4-fluorophenyl)thiourea
SYSTEMATIC NAME: 1-[2-(1-adamantyl)ethanoylamino]-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea
MOLECULAR FORMULA: C19H23ClFN3OS
MOLECULAR WEIGHT: 395.921823
SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=S)NC4=CC(=C(C=C4)F)Cl
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(benzylcarbamoyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(benzylcarbamoyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-[(phenylmethyl)carbamoyl]propanamide
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2S)-N-(2-cyanophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(2-cyanophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(2-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(2-cyanophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H18N4OS
MOLECULAR WEIGHT: 374.45882
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC=CC=C3C#N
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Product OPENEYE NAME: methyl 4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate
CAS Name: 4-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate
MOLECULAR FORMULA: C21H27N2O4S+
MOLECULAR WEIGHT: 403.51508
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC)C
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Product OPENEYE NAME: methyl 4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate
CAS Name: 4-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]benzoate
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC)C
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Product OPENEYE NAME: [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[[[(1R,2R)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H24N2O6
MOLECULAR WEIGHT: 400.42506
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(benzylcarbamoyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(benzylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-[(phenylmethyl)carbamoyl]propanamide
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2R)-N-(2-cyanophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(2-cyanophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(2-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(2-cyanophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H18N4OS
MOLECULAR WEIGHT: 374.45882
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC=CC=C3C#N
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-phenylacetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C21H28N3O3S+
MOLECULAR WEIGHT: 402.53032
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenyl-acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-methyl-N-phenylacetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C21H27N3O3S
MOLECULAR WEIGHT: 401.52238
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)C3=CC=CC=C3)C
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