Tuesday, April 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CAS Name: N-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
SYSTEMATIC NAME: methyl N-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanoyl]carbamate
MOLECULAR FORMULA: C16H23N3O5S
MOLECULAR WEIGHT: 369.43592
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)OC
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Product OPENEYE NAME: N-butyl-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
CAS Name: N-butyl-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide
IUPAC NAME: N-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide
SYSTEMATIC NAME: N-butyl-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide
MOLECULAR FORMULA: C17H27N3O2S2
MOLECULAR WEIGHT: 369.54518
SMILES: CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C
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Product OPENEYE NAME: N-(4-fluorophenyl)-4-methoxy-3-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzamide
CAS Name: N-(4-fluorophenyl)-4-methoxy-3-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzamide
IUPAC NAME: N-(4-fluorophenyl)-4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzamide
MOLECULAR FORMULA: C20H23FN2O4S
MOLECULAR WEIGHT: 406.471023
SMILES: C[C@@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)F)OC
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Product OPENEYE NAME: 2-[4-[2-(diisopropylamino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C22H38N4O2+2
MOLECULAR WEIGHT: 390.56272
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N(C(C)C)C(C)C
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Product OPENEYE NAME: 2-[4-[2-(diisopropylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[di(propan-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C22H36N4O2
MOLECULAR WEIGHT: 388.54684
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)N(C(C)C)C(C)C
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Product OPENEYE NAME: (4-nitrophenyl)methyl (2S)-2-(butylsulfonylamino)propanoate
CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl (2S)-2-(butylsulfonylamino)propanoate
SYSTEMATIC NAME: (4-nitrophenyl)methyl (2S)-2-(butylsulfonylamino)propanoate
MOLECULAR FORMULA: C14H20N2O6S
MOLECULAR WEIGHT: 344.3834
SMILES: CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: N-(4-fluorophenyl)-4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide
CAS Name: N-(4-fluorophenyl)-4-methoxy-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzamide
IUPAC NAME: N-(4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide
MOLECULAR FORMULA: C20H23FN2O4S
MOLECULAR WEIGHT: 406.471023
SMILES: C[C@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)F)OC
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Product OPENEYE NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide
CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H22FN3O2S2
MOLECULAR WEIGHT: 407.525283
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-2-phenylpropyl]acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide
MOLECULAR FORMULA: C23H32N3O3S+
MOLECULAR WEIGHT: 430.58348
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-[(2S)-2-phenylpropyl]acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC[C@@H](C)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(2-chloro-4-fluoro-phenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CAS Name: 2-(2-chloro-4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylthio]ethyl]acetamide
IUPAC NAME: 2-(2-chloro-4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SYSTEMATIC NAME: 2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]ethanamide
MOLECULAR FORMULA: C17H16ClF2NO2S
MOLECULAR WEIGHT: 371.829246
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)COC2=C(C=C(C=C2)F)Cl)F
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl]-1-piperazine-1,4-diiumyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide
MOLECULAR FORMULA: C21H27N5O3+2
MOLECULAR WEIGHT: 397.47078
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=NN=C(O3)C4=CC=CO4
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[4-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl]-1-piperazinyl]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C21H25N5O3
MOLECULAR WEIGHT: 395.4549
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=NN=C(O3)C4=CC=CO4
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H16F3NO5
MOLECULAR WEIGHT: 407.33995
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)OC(F)(F)F)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: 2-(2,4-dimethyl-3-quinolyl)-N-(4-fluorophenyl)acetamide
CAS Name: 2-(2,4-dimethyl-3-quinolinyl)-N-(4-fluorophenyl)acetamide
IUPAC NAME: 2-(2,4-dimethylquinolin-3-yl)-N-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: 2-(2,4-dimethylquinolin-3-yl)-N-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C19H17FN2O
MOLECULAR WEIGHT: 308.349483
SMILES: CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide
CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H31N4O3S2+
MOLECULAR WEIGHT: 427.60444
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3
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Product OPENEYE NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholinoethyl)piperazine-1-carbothioamide
CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[2-(4-morpholinyl)ethyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H30N4O3S2
MOLECULAR WEIGHT: 426.5965
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCN3CCOCC3
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2R)-2-phenylpropyl]acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]ethanamide
MOLECULAR FORMULA: C23H32N3O3S+
MOLECULAR WEIGHT: 430.58348
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC[C@H](C)C3=CC=CC=C3
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