Thursday, May 16, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2R,6S)-N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]-2,6-dimethyl-morpholine-4-sulfonamide
CAS Name: (2R,6S)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2,6-dimethyl-4-morpholinesulfonamide
IUPAC NAME: (2R,6S)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2,6-dimethylmorpholine-4-sulfonamide
SYSTEMATIC NAME: (2R,6S)-N-[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2,6-dimethyl-morpholine-4-sulfonamide
MOLECULAR FORMULA: C17H21FN2O3S2
MOLECULAR WEIGHT: 384.488643
SMILES: C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)N[C@@H](C2=CC=C(C=C2)F)C3=CC=CS3
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Product OPENEYE NAME: (2R,6R)-N-[(R)-(4-fluorophenyl)-(2-thienyl)methyl]-2,6-dimethyl-morpholine-4-sulfonamide
CAS Name: (2R,6R)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2,6-dimethyl-4-morpholinesulfonamide
IUPAC NAME: (2R,6R)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2,6-dimethylmorpholine-4-sulfonamide
SYSTEMATIC NAME: (2R,6R)-N-[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2,6-dimethyl-morpholine-4-sulfonamide
MOLECULAR FORMULA: C17H21FN2O3S2
MOLECULAR WEIGHT: 384.488643
SMILES: C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)N[C@H](C2=CC=C(C=C2)F)C3=CC=CS3
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Product OPENEYE NAME: (2R,6S)-N-[(R)-(4-fluorophenyl)-(2-thienyl)methyl]-2,6-dimethyl-morpholine-4-sulfonamide
CAS Name: (2R,6S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2,6-dimethyl-4-morpholinesulfonamide
IUPAC NAME: (2R,6S)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2,6-dimethylmorpholine-4-sulfonamide
SYSTEMATIC NAME: (2R,6S)-N-[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]-2,6-dimethyl-morpholine-4-sulfonamide
MOLECULAR FORMULA: C17H21FN2O3S2
MOLECULAR WEIGHT: 384.488643
SMILES: C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)N[C@H](C2=CC=C(C=C2)F)C3=CC=CS3
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Product OPENEYE NAME: methyl 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]thiophene-2-carboxylate
CAS Name: 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C19H23NO6S2
MOLECULAR WEIGHT: 425.51902
SMILES: CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=C(SC=C3)C(=O)OC
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Product OPENEYE NAME: methyl 3-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]thiophene-2-carboxylate
CAS Name: 3-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]sulfamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C19H23NO6S2
MOLECULAR WEIGHT: 425.51902
SMILES: CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=C(SC=C3)C(=O)OC
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Product OPENEYE NAME: (2R)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-methyl-butanamide
CAS Name: (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbutanamide
IUPAC NAME: (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbutanamide
SYSTEMATIC NAME: (2R)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-methyl-butanamide
MOLECULAR FORMULA: C13H18ClNO2
MOLECULAR WEIGHT: 255.74052
SMILES: CC[C@@H](C)C(=O)NC1=C(C=C(C(=C1)C)Cl)OC
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Product OPENEYE NAME: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-methyl-butanamide
CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbutanamide
IUPAC NAME: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbutanamide
SYSTEMATIC NAME: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-methyl-butanamide
MOLECULAR FORMULA: C13H18ClNO2
MOLECULAR WEIGHT: 255.74052
SMILES: CC[C@H](C)C(=O)NC1=C(C=C(C(=C1)C)Cl)OC
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Product OPENEYE NAME: 3-bromo-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2,5-dimethoxy-benzamide
CAS Name: 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dimethoxybenzamide
IUPAC NAME: 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dimethoxybenzamide
SYSTEMATIC NAME: 3-bromanyl-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2,5-dimethoxy-benzamide
MOLECULAR FORMULA: C17H17BrClNO4
MOLECULAR WEIGHT: 414.67818
SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC(=CC(=C2OC)Br)OC
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Product OPENEYE NAME: methyl 2-[(3-cyanophenoxy)methyl]furan-3-carboxylate
CAS Name: 2-[(3-cyanophenoxy)methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(3-cyanophenoxy)methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(3-cyanophenoxy)methyl]furan-3-carboxylate
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: COC(=O)C1=C(OC=C1)COC2=CC=CC(=C2)C#N
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Product OPENEYE NAME: dimethyl-[[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]phenyl]methyl]ammonium
CAS Name: dimethyl-[[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]phenyl]methyl]ammonium
IUPAC NAME: dimethyl-[[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]phenyl]methyl]azanium
SYSTEMATIC NAME: dimethyl-[[2-[[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonylamino]methyl]phenyl]methyl]azanium
MOLECULAR FORMULA: C19H24N3O6S+
MOLECULAR WEIGHT: 422.47536
SMILES: C[NH+](C)CC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3
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Product OPENEYE NAME: N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CAS Name: N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide
IUPAC NAME: N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
SYSTEMATIC NAME: N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
MOLECULAR FORMULA: C19H23N3O6S
MOLECULAR WEIGHT: 421.46742
SMILES: CN(C)CC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3
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