Tuesday, April 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluoro-4-methyl-phenyl)acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-fluoro-4-methylphenyl)acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C21H27FN3O3S+
MOLECULAR WEIGHT: 420.520783
SMILES: CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)F
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-fluoro-4-methyl-phenyl)acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(2-fluoro-4-methylphenyl)acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C21H26FN3O3S
MOLECULAR WEIGHT: 419.512843
SMILES: CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)F
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Product OPENEYE NAME: [2-[benzyl(methyl)amino]-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate
CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate
SYSTEMATIC NAME: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate
MOLECULAR FORMULA: C17H26N2O5S
MOLECULAR WEIGHT: 370.46374
SMILES: CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N(C)CC1=CC=CC=C1
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Product OPENEYE NAME: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]butanamide
CAS Name: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]butanamide
IUPAC NAME: 4-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]butanamide
SYSTEMATIC NAME: 4-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]butanamide
MOLECULAR FORMULA: C20H26FN3O3S
MOLECULAR WEIGHT: 407.502143
SMILES: C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)NCCSCC3=CC=CC=C3F
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Product OPENEYE NAME: 2-[4-[2-(4-chlorophenyl)sulfanylethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[2-[(4-chlorophenyl)thio]ethyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-(4-chlorophenyl)sulfanylethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-(4-chlorophenyl)sulfanylethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C22H30ClN3OS+2
MOLECULAR WEIGHT: 420.0111
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CCSC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[4-[2-(4-chlorophenyl)sulfanylethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[2-[(4-chlorophenyl)thio]ethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-(4-chlorophenyl)sulfanylethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-(4-chlorophenyl)sulfanylethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C22H28ClN3OS
MOLECULAR WEIGHT: 417.99522
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CCSC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-methyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide
CAS Name: N-methyl-4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-methyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-methyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C13H18N4O4S2
MOLECULAR WEIGHT: 358.43642
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=S)NC
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluoranylphenoxy)ethyl]piperazin-4-ium
MOLECULAR FORMULA: C20H26FN2O3S+
MOLECULAR WEIGHT: 393.495443
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3F
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluoranylphenoxy)ethyl]piperazine
MOLECULAR FORMULA: C20H25FN2O3S
MOLECULAR WEIGHT: 392.487503
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CCOC3=CC=CC=C3F
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Product OPENEYE NAME: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-N-(4-fluorophenyl)prop-2-enamide
CAS Name: (E)-N-(4-fluorophenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide
IUPAC NAME: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-fluorophenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide
MOLECULAR FORMULA: C24H19FN4O
MOLECULAR WEIGHT: 398.432263
SMILES: C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C/C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[2,3,4-tris(fluoranyl)phenyl]amino]propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H14F3NO4
MOLECULAR WEIGHT: 377.31397
SMILES: C[C@@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-[4-[(2-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(2-bromophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(2-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(2-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H28BrN3O+2
MOLECULAR WEIGHT: 418.37052
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Br
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Product OPENEYE NAME: 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(2-bromophenyl)methyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H26BrN3O
MOLECULAR WEIGHT: 416.35464
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Br
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Product OPENEYE NAME: N-butyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide
CAS Name: N-butyl-4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-butyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-butyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C16H24N4O4S2
MOLECULAR WEIGHT: 400.51616
SMILES: CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C
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Product OPENEYE NAME: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate
CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate
SYSTEMATIC NAME: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate
MOLECULAR FORMULA: C16H23ClN2O5S
MOLECULAR WEIGHT: 390.88222
SMILES: CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1=C(C(=CC=C1)Cl)C
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Product OPENEYE NAME: N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide
CAS Name: N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide
IUPAC NAME: N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C23H18FN3O2
MOLECULAR WEIGHT: 387.406323
SMILES: COC1=CC=CC=C1C2=NN(C=C2C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4
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