Friday, March 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 5-phenyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]oxazole
CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenyloxazole
IUPAC NAME: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C21H24N3O3S+
MOLECULAR WEIGHT: 398.49856
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=CC=C4
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Product OPENEYE NAME: 5-phenyl-2-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]oxazole
CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-5-phenyloxazole
IUPAC NAME: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C21H23N3O3S
MOLECULAR WEIGHT: 397.49062
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4
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Product OPENEYE NAME: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2)C
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Product OPENEYE NAME: [(1S)-2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-ammonium
CAS Name: [(1S)-2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium
IUPAC NAME: [(1S)-2-[(3-chloro-4-methylphenyl)carbamothioylamino]-1-phenylethyl]-dimethylazanium
SYSTEMATIC NAME: [(1S)-2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C18H23ClN3S+
MOLECULAR WEIGHT: 348.91332
SMILES: CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=CC=C2)[NH+](C)C)Cl
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Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-3-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]thiourea
CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(2S)-2-(dimethylamino)-2-phenylethyl]thiourea
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-3-[(2S)-2-(dimethylamino)-2-phenylethyl]thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-3-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]thiourea
MOLECULAR FORMULA: C18H22ClN3S
MOLECULAR WEIGHT: 347.90538
SMILES: CC1=C(C=C(C=C1)NC(=S)NC[C@H](C2=CC=CC=C2)N(C)C)Cl
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Product OPENEYE NAME: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium
CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
IUPAC NAME: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium
SYSTEMATIC NAME: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium
MOLECULAR FORMULA: C21H29N2O4S+
MOLECULAR WEIGHT: 405.53096
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC
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Product OPENEYE NAME: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(p-tolylsulfonyl)piperazine
CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
IUPAC NAME: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C21H28N2O4S
MOLECULAR WEIGHT: 404.52302
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3C)OC)OC
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Product OPENEYE NAME: [2-oxo-2-(4-propylphenyl)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(4-propylphenyl)ethyl] ester
IUPAC NAME: [2-oxo-2-(4-propylphenyl)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H20O4
MOLECULAR WEIGHT: 336.3811
SMILES: CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C21H27FN3O3S+
MOLECULAR WEIGHT: 420.520783
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C21H26FN3O3S
MOLECULAR WEIGHT: 419.512843
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: 4-(2-cyanoethylsulfamoyl)-N-[(1R)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide
CAS Name: 4-(2-cyanoethylsulfamoyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
IUPAC NAME: 4-(2-cyanoethylsulfamoyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SYSTEMATIC NAME: 4-(2-cyanoethylsulfamoyl)-N-[(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide
MOLECULAR FORMULA: C16H22N4O4S
MOLECULAR WEIGHT: 366.43528
SMILES: CCCNC(=O)[C@@H](C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC#N
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide
MOLECULAR FORMULA: C21H27FN3O3S+
MOLECULAR WEIGHT: 420.520783
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide
MOLECULAR FORMULA: C21H26FN3O3S
MOLECULAR WEIGHT: 419.512843
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)CC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2,3,6-trichlorobenzoate
CAS Name: 2,3,6-trichlorobenzoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2,3,6-trichlorobenzoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2,3,6-tris(chloranyl)benzoate
MOLECULAR FORMULA: C16H16Cl3N3O3
MOLECULAR WEIGHT: 404.67554
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2Cl)Cl)Cl
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Product OPENEYE NAME: methyl 3-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]benzoate
CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate
MOLECULAR FORMULA: C20H25N2O4S+
MOLECULAR WEIGHT: 389.4885
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C(=O)OC
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