Tuesday, May 21, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]morpholine
CAS Name: 4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]morpholine
IUPAC NAME: 4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]morpholine
SYSTEMATIC NAME: 4-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]morpholine
MOLECULAR FORMULA: C21H26N2O5S
MOLECULAR WEIGHT: 418.50654
SMILES: COC1=C(C=C2[C@H](N(CCC2=C1)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4)OC
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Product OPENEYE NAME: 1-cyclohexyl-3-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]urea
CAS Name: 1-cyclohexyl-3-[3-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]urea
IUPAC NAME: 1-cyclohexyl-3-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]urea
SYSTEMATIC NAME: 1-cyclohexyl-3-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea
MOLECULAR FORMULA: C20H28Cl2N4O4S
MOLECULAR WEIGHT: 491.43172
SMILES: C1CCC(CC1)NC(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-[4-[ethyl(isopropyl)amino]phenyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C20H23N4O2+
MOLECULAR WEIGHT: 351.42222
SMILES: CCN(C1=CC=C(C=C1)NC(=O)C2=CNC3=CC=CC=[N+]3C2=O)C(C)C
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Product OPENEYE NAME: methyl 3-[[(2R)-2-carbamoyl-1-piperidyl]sulfonyl]benzoate
CAS Name: 3-[[(2R)-2-carbamoyl-1-piperidinyl]sulfonyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[(2R)-2-carbamoylpiperidin-1-yl]sulfonylbenzoate
SYSTEMATIC NAME: methyl 3-[(2R)-2-aminocarbonylpiperidin-1-yl]sulfonylbenzoate
MOLECULAR FORMULA: C14H18N2O5S
MOLECULAR WEIGHT: 326.36812
SMILES: COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)N
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Product OPENEYE NAME: methyl 3-[[(2S)-2-carbamoyl-1-piperidyl]sulfonyl]benzoate
CAS Name: 3-[[(2S)-2-carbamoyl-1-piperidinyl]sulfonyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[(2S)-2-carbamoylpiperidin-1-yl]sulfonylbenzoate
SYSTEMATIC NAME: methyl 3-[(2S)-2-aminocarbonylpiperidin-1-yl]sulfonylbenzoate
MOLECULAR FORMULA: C14H18N2O5S
MOLECULAR WEIGHT: 326.36812
SMILES: COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)N
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Product OPENEYE NAME: azocan-1-yl-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CAS Name: 1-azocanyl-(2,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl)methanone
IUPAC NAME: azocan-1-yl-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SYSTEMATIC NAME: azocan-1-yl-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
MOLECULAR FORMULA: C16H22N4O
MOLECULAR WEIGHT: 286.37208
SMILES: CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCCCCCC3)C
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Product OPENEYE NAME: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]morpholine
CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]morpholine
IUPAC NAME: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylmorpholine
SYSTEMATIC NAME: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylmorpholine
MOLECULAR FORMULA: C16H21N3O3S2
MOLECULAR WEIGHT: 367.48624
SMILES: C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCOCC4
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Product OPENEYE NAME: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]morpholine
CAS Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]morpholine
IUPAC NAME: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylmorpholine
SYSTEMATIC NAME: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylmorpholine
MOLECULAR FORMULA: C16H21N3O3S2
MOLECULAR WEIGHT: 367.48624
SMILES: C1C[C@H](CN(C1)S(=O)(=O)N2CCOCC2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]morpholine
CAS Name: 4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]morpholine
IUPAC NAME: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylmorpholine
SYSTEMATIC NAME: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylmorpholine
MOLECULAR FORMULA: C16H21N3O3S2
MOLECULAR WEIGHT: 367.48624
SMILES: C1C[C@@H](CN(C1)S(=O)(=O)N2CCOCC2)C3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CAS Name: 4-[[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]sulfonyl]morpholine
IUPAC NAME: 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SYSTEMATIC NAME: 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
MOLECULAR FORMULA: C14H20ClN3O5S2
MOLECULAR WEIGHT: 409.9087
SMILES: C1CN(CCN1S(=O)(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCOCC3
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Product OPENEYE NAME: N-(5-ethyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(5-methyl-2-phenyl-oxazol-4-yl)acetamide
CAS Name: N-(5-ethyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(5-methyl-2-phenyl-4-oxazolyl)acetamide
IUPAC NAME: N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SYSTEMATIC NAME: N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanamide
MOLECULAR FORMULA: C20H22N4O2S
MOLECULAR WEIGHT: 382.47928
SMILES: CCN1CCC2=C(C1)SC(=N2)NC(=O)CC3=C(OC(=N3)C4=CC=CC=C4)C
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Product OPENEYE NAME: methyl 3-(4-indan-5-ylsulfonylpiperazin-1-yl)sulfonylbenzoate
CAS Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]sulfonylbenzoate
SYSTEMATIC NAME: methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]sulfonylbenzoate
MOLECULAR FORMULA: C21H24N2O6S2
MOLECULAR WEIGHT: 464.55506
SMILES: COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3
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Product OPENEYE NAME: methyl 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate
CAS Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate
SYSTEMATIC NAME: methyl 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate
MOLECULAR FORMULA: C19H20ClFN2O4S
MOLECULAR WEIGHT: 426.889503
SMILES: COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C20H18N5O2+
MOLECULAR WEIGHT: 360.38922
SMILES: C[C@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O
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Product OPENEYE NAME: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C20H18N5O2+
MOLECULAR WEIGHT: 360.38922
SMILES: C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CNC4=CC=CC=[N+]4C3=O
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Product OPENEYE NAME: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-morpholine-4-sulfonamide
CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-4-morpholinesulfonamide
IUPAC NAME: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylmorpholine-4-sulfonamide
SYSTEMATIC NAME: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-morpholine-4-sulfonamide
MOLECULAR FORMULA: C17H24N4O3S
MOLECULAR WEIGHT: 364.46246
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)S(=O)(=O)N3CCOCC3
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Product OPENEYE NAME: ethyl 4,5-dimethyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4,5-dimethyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 4,5-dimethyl-2-[2-(1-phenylpyrazol-4-yl)ethanoylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C20H21N3O3S
MOLECULAR WEIGHT: 383.46404
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]morpholine-4-sulfonamide
CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-morpholinesulfonamide
IUPAC NAME: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]morpholine-4-sulfonamide
SYSTEMATIC NAME: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]morpholine-4-sulfonamide
MOLECULAR FORMULA: C18H30N2O3S
MOLECULAR WEIGHT: 354.5074
SMILES: CC1=CC(=CC(=C1CCNS(=O)(=O)N2CCOCC2)C)C(C)(C)C
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Product OPENEYE NAME: N-[(1S)-1,2-diphenylethyl]morpholine-4-sulfonamide
CAS Name: N-[(1S)-1,2-diphenylethyl]-4-morpholinesulfonamide
IUPAC NAME: N-[(1S)-1,2-diphenylethyl]morpholine-4-sulfonamide
SYSTEMATIC NAME: N-[(1S)-1,2-diphenylethyl]morpholine-4-sulfonamide
MOLECULAR FORMULA: C18H22N2O3S
MOLECULAR WEIGHT: 346.44388
SMILES: C1COCCN1S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1R)-1,2-diphenylethyl]morpholine-4-sulfonamide
CAS Name: N-[(1R)-1,2-diphenylethyl]-4-morpholinesulfonamide
IUPAC NAME: N-[(1R)-1,2-diphenylethyl]morpholine-4-sulfonamide
SYSTEMATIC NAME: N-[(1R)-1,2-diphenylethyl]morpholine-4-sulfonamide
MOLECULAR FORMULA: C18H22N2O3S
MOLECULAR WEIGHT: 346.44388
SMILES: C1COCCN1S(=O)(=O)N[C@H](CC2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 3-[4-(2-thienylmethyl)piperazin-1-yl]sulfonylbenzoate
CAS Name: 3-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylbenzoate
SYSTEMATIC NAME: methyl 3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylbenzoate
MOLECULAR FORMULA: C17H20N2O4S2
MOLECULAR WEIGHT: 380.4817
SMILES: COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CS3
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Product OPENEYE NAME: N-[2-(4-methylphenoxy)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
CAS Name: N-[2-(4-methylphenoxy)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
IUPAC NAME: N-[2-(4-methylphenoxy)ethyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
SYSTEMATIC NAME: N-[2-(4-methylphenoxy)ethyl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide
MOLECULAR FORMULA: C18H18N3O3+
MOLECULAR WEIGHT: 324.35382
SMILES: CC1=CC=C(C=C1)OCCNC(=O)C2=CNC3=CC=CC=[N+]3C2=O
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-morpholine-4-sulfonamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-morpholinesulfonamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-methylmorpholine-4-sulfonamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-morpholine-4-sulfonamide
MOLECULAR FORMULA: C13H18N2O5S
MOLECULAR WEIGHT: 314.35742
SMILES: CN(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)N3CCOCC3
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