Saturday, March 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-(p-tolyl)thiazole
CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2-(4-methylphenyl)thiazole
IUPAC NAME: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
SYSTEMATIC NAME: 2-(4-methylphenyl)-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
MOLECULAR FORMULA: C21H24N3O2S2+
MOLECULAR WEIGHT: 414.56416
SMILES: CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(p-tolyl)thiazole
CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-2-(4-methylphenyl)thiazole
IUPAC NAME: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
SYSTEMATIC NAME: 2-(4-methylphenyl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,3-thiazole
MOLECULAR FORMULA: C21H23N3O2S2
MOLECULAR WEIGHT: 413.55622
SMILES: CC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-[2-(4-chlorophenoxy)ethyl]-4-fluoro-3-nitro-benzamide
CAS Name: N-[2-(4-chlorophenoxy)ethyl]-4-fluoro-3-nitrobenzamide
IUPAC NAME: N-[2-(4-chlorophenoxy)ethyl]-4-fluoro-3-nitrobenzamide
SYSTEMATIC NAME: N-[2-(4-chloranylphenoxy)ethyl]-4-fluoranyl-3-nitro-benzamide
MOLECULAR FORMULA: C15H12ClFN2O4
MOLECULAR WEIGHT: 338.718183
SMILES: C1=CC(=CC=C1OCCNC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 4-tert-butyl-N-[3-(3,4-dimethylanilino)-3-oxo-propyl]benzamide
CAS Name: 4-tert-butyl-N-[3-(3,4-dimethylanilino)-3-oxopropyl]benzamide
IUPAC NAME: 4-tert-butyl-N-[3-(3,4-dimethylanilino)-3-oxopropyl]benzamide
SYSTEMATIC NAME: 4-tert-butyl-N-[3-[(3,4-dimethylphenyl)amino]-3-oxidanylidene-propyl]benzamide
MOLECULAR FORMULA: C22H28N2O2
MOLECULAR WEIGHT: 352.46992
SMILES: CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C)C
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)-1-propanone
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SYSTEMATIC NAME: (2R)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one
MOLECULAR FORMULA: C22H26N3O3S+
MOLECULAR WEIGHT: 412.52514
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)[C@@H](C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazinyl]-1-(2-methyl-1H-indol-3-yl)-1-propanone
IUPAC NAME: (2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SYSTEMATIC NAME: (2R)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C22H25N3O3S
MOLECULAR WEIGHT: 411.5172
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)[C@@H](C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dithian-2-yl)benzamide
CAS Name: N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dithian-2-yl)benzamide
IUPAC NAME: N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dithian-2-yl)benzamide
SYSTEMATIC NAME: N-[2-(4-chloranylphenoxy)ethyl]-4-(1,3-dithian-2-yl)benzamide
MOLECULAR FORMULA: C19H20ClNO2S2
MOLECULAR WEIGHT: 393.9506
SMILES: C1CSC(SC1)C2=CC=C(C=C2)C(=O)NCCOC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)-1-propanone
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SYSTEMATIC NAME: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-1-one
MOLECULAR FORMULA: C22H26N3O3S+
MOLECULAR WEIGHT: 412.52514
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazinyl]-1-(2-methyl-1H-indol-3-yl)-1-propanone
IUPAC NAME: (2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SYSTEMATIC NAME: (2S)-1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C22H25N3O3S
MOLECULAR WEIGHT: 411.5172
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 1-[(3-chloro-4-fluoro-phenyl)carbamothioyl]piperidine-4-carboxylate
CAS Name: 1-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(3-chloro-4-fluorophenyl)carbamothioyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C14H16ClFN2O2S
MOLECULAR WEIGHT: 330.805443
SMILES: COC(=O)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(4-methylphenoxy)butanoate
CAS Name: 4-(4-methylphenoxy)butanoic 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] 4-(4-methylphenoxy)butanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(4-methylphenoxy)butanoate
MOLECULAR FORMULA: C20H27N3O4
MOLECULAR WEIGHT: 373.44608
SMILES: CC1=CC=C(C=C1)OCCCC(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C
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