Tuesday, February 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
CAS Name: 5-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C19H24N2O5S
MOLECULAR WEIGHT: 392.46926
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(O3)C(=O)OC)C
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Product OPENEYE NAME: 2-[methyl-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]-N-(p-tolyl)acetamide
CAS Name: 2-[methyl-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[methyl-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C23H24N4O2S
MOLECULAR WEIGHT: 420.52726
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(2-methylallyl)thiourea
CAS Name: 1-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C13H16ClN3OS2
MOLECULAR WEIGHT: 329.86864
SMILES: CC(=C)CNC(=S)NNC(=O)CSC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(ethylcarbamoyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(ethylcarbamoyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(ethylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(ethylcarbamoyl)ethanamide
MOLECULAR FORMULA: C17H27N4O4S+
MOLECULAR WEIGHT: 383.48568
SMILES: CCNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CAS Name: 2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(ethylcarbamoyl)acetamide
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)ethanamide
MOLECULAR FORMULA: C17H26N4O4S
MOLECULAR WEIGHT: 382.47774
SMILES: CCNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C
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Product OPENEYE NAME: [(1S)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H15FO5
MOLECULAR WEIGHT: 354.328503
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: ethyl N-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]carbamate
CAS Name: N-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]carbamate
SYSTEMATIC NAME: ethyl N-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]carbamate
MOLECULAR FORMULA: C16H17N3O3S
MOLECULAR WEIGHT: 331.38948
SMILES: CCOC(=O)NC(=O)CSC1=NC(=CC(=N1)C)C2=CC=CC=C2
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Product OPENEYE NAME: 1-[4-[(3-bromo-4-methoxy-phenyl)methoxy]-3-methoxy-phenyl]ethanone
CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxyphenyl]ethanone
IUPAC NAME: 1-[4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxyphenyl]ethanone
SYSTEMATIC NAME: 1-[4-[(3-bromanyl-4-methoxy-phenyl)methoxy]-3-methoxy-phenyl]ethanone
MOLECULAR FORMULA: C17H17BrO4
MOLECULAR WEIGHT: 365.21848
SMILES: CC(=O)C1=CC(=C(C=C1)OCC2=CC(=C(C=C2)OC)Br)OC
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Product OPENEYE NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide
IUPAC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
SYSTEMATIC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
MOLECULAR FORMULA: C17H27N4O4S+
MOLECULAR WEIGHT: 383.48568
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC(=O)NC)C
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Product OPENEYE NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(methylcarbamoyl)propanamide
IUPAC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
SYSTEMATIC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
MOLECULAR FORMULA: C17H26N4O4S
MOLECULAR WEIGHT: 382.47774
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@@H](C)C(=O)NC(=O)NC)C
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Product OPENEYE NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
CAS Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide
IUPAC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
MOLECULAR FORMULA: C17H27N4O4S+
MOLECULAR WEIGHT: 383.48568
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC)C
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Product OPENEYE NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
CAS Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(methylcarbamoyl)propanamide
IUPAC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
MOLECULAR FORMULA: C17H26N4O4S
MOLECULAR WEIGHT: 382.47774
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@H](C)C(=O)NC(=O)NC)C
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Product OPENEYE NAME: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H21N3O3S
MOLECULAR WEIGHT: 407.48544
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC4=C(C=C3)OCCO4
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Product OPENEYE NAME: [(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H15FO5
MOLECULAR WEIGHT: 354.328503
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium
MOLECULAR FORMULA: C20H27N2O3S+
MOLECULAR WEIGHT: 375.50498
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC)C
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Product OPENEYE NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine
CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine
IUPAC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C20H26N2O3S
MOLECULAR WEIGHT: 374.49704
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C
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Product OPENEYE NAME: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H20N2O5
MOLECULAR WEIGHT: 368.3832
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC3(CCCCC3)C#N
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Product OPENEYE NAME: (2R)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-ethoxyphenyl)propanamide
CAS Name: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-ethoxyphenyl)propanamide
IUPAC NAME: (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-ethoxyphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-ethoxyphenyl)propanamide
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CCOC1=CC=CC=C1NC(=O)[C@@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H21N3O3S
MOLECULAR WEIGHT: 407.48544
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC4=C(C=C3)OCCO4
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Product OPENEYE NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide
IUPAC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SYSTEMATIC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
MOLECULAR FORMULA: C15H24N3O3S+
MOLECULAR WEIGHT: 326.43436
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)N)C
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Product OPENEYE NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]propanamide
IUPAC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SYSTEMATIC NAME: (2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
MOLECULAR FORMULA: C15H23N3O3S
MOLECULAR WEIGHT: 325.42642
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@@H](C)C(=O)N)C
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Product OPENEYE NAME: (2S)-2-(4-acetyl-2-methoxy-phenoxy)-N-(2-ethoxyphenyl)propanamide
CAS Name: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-ethoxyphenyl)propanamide
IUPAC NAME: (2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-ethoxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-(4-ethanoyl-2-methoxy-phenoxy)-N-(2-ethoxyphenyl)propanamide
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CCOC1=CC=CC=C1NC(=O)[C@H](C)OC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H19N3O3S
MOLECULAR WEIGHT: 393.45886
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC4=C(C=C3)OCO4
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