Wednesday, June 19, 2013

All Chemical Compounds Information



Product OPENEYE NAME: N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CAS Name: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide
IUPAC NAME: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SYSTEMATIC NAME: N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide
MOLECULAR FORMULA: C13H15F3N6O5S
MOLECULAR WEIGHT: 424.35561
SMILES: C[C@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=NNC(=N2)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide
CAS Name: N-[(2S)-1-methoxypropan-2-yl]-3-nitro-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide
IUPAC NAME: N-[(2S)-1-methoxypropan-2-yl]-3-nitro-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SYSTEMATIC NAME: N-[(2S)-1-methoxypropan-2-yl]-3-nitro-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide
MOLECULAR FORMULA: C13H15F3N6O5S
MOLECULAR WEIGHT: 424.35561
SMILES: C[C@@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=NNC(=N2)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 5-nitro-2-[3-(pyrrolidin-1-ium-1-ylmethyl)anilino]benzonitrile
CAS Name: 5-nitro-2-[3-(1-pyrrolidin-1-iumylmethyl)anilino]benzonitrile
IUPAC NAME: 5-nitro-2-[3-(pyrrolidin-1-ium-1-ylmethyl)anilino]benzonitrile
SYSTEMATIC NAME: 5-nitro-2-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]benzenecarbonitrile
MOLECULAR FORMULA: C18H19N4O2+
MOLECULAR WEIGHT: 323.36906
SMILES: C1CC[NH+](C1)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N
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Product OPENEYE NAME: 5-nitro-2-[3-(pyrrolidin-1-ylmethyl)anilino]benzonitrile
CAS Name: 5-nitro-2-[3-(1-pyrrolidinylmethyl)anilino]benzonitrile
IUPAC NAME: 5-nitro-2-[3-(pyrrolidin-1-ylmethyl)anilino]benzonitrile
SYSTEMATIC NAME: 5-nitro-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]amino]benzenecarbonitrile
MOLECULAR FORMULA: C18H18N4O2
MOLECULAR WEIGHT: 322.36112
SMILES: C1CCN(C1)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N
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Product OPENEYE NAME: N-tert-butyl-3-nitro-4-[3-(pyrrolidin-1-ium-1-ylmethyl)anilino]benzenesulfonamide
CAS Name: N-tert-butyl-3-nitro-4-[3-(1-pyrrolidin-1-iumylmethyl)anilino]benzenesulfonamide
IUPAC NAME: N-tert-butyl-3-nitro-4-[3-(pyrrolidin-1-ium-1-ylmethyl)anilino]benzenesulfonamide
SYSTEMATIC NAME: N-tert-butyl-3-nitro-4-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]benzenesulfonamide
MOLECULAR FORMULA: C21H29N4O4S+
MOLECULAR WEIGHT: 433.54436
SMILES: CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C[NH+]3CCCC3)[N+](=O)[O-]
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Product OPENEYE NAME: N-tert-butyl-3-nitro-4-[3-(pyrrolidin-1-ylmethyl)anilino]benzenesulfonamide
CAS Name: N-tert-butyl-3-nitro-4-[3-(1-pyrrolidinylmethyl)anilino]benzenesulfonamide
IUPAC NAME: N-tert-butyl-3-nitro-4-[3-(pyrrolidin-1-ylmethyl)anilino]benzenesulfonamide
SYSTEMATIC NAME: N-tert-butyl-3-nitro-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]amino]benzenesulfonamide
MOLECULAR FORMULA: C21H28N4O4S
MOLECULAR WEIGHT: 432.53642
SMILES: CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CN3CCCC3)[N+](=O)[O-]
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Product OPENEYE NAME: N-methyl-3-nitro-4-[3-(pyrrolidin-1-ium-1-ylmethyl)anilino]benzenesulfonamide
CAS Name: N-methyl-3-nitro-4-[3-(1-pyrrolidin-1-iumylmethyl)anilino]benzenesulfonamide
IUPAC NAME: N-methyl-3-nitro-4-[3-(pyrrolidin-1-ium-1-ylmethyl)anilino]benzenesulfonamide
SYSTEMATIC NAME: N-methyl-3-nitro-4-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]benzenesulfonamide
MOLECULAR FORMULA: C18H23N4O4S+
MOLECULAR WEIGHT: 391.46462
SMILES: CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)C[NH+]3CCCC3)[N+](=O)[O-]
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Product OPENEYE NAME: N-methyl-3-nitro-4-[3-(pyrrolidin-1-ylmethyl)anilino]benzenesulfonamide
CAS Name: N-methyl-3-nitro-4-[3-(1-pyrrolidinylmethyl)anilino]benzenesulfonamide
IUPAC NAME: N-methyl-3-nitro-4-[3-(pyrrolidin-1-ylmethyl)anilino]benzenesulfonamide
SYSTEMATIC NAME: N-methyl-3-nitro-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]amino]benzenesulfonamide
MOLECULAR FORMULA: C18H22N4O4S
MOLECULAR WEIGHT: 390.45668
SMILES: CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CN3CCCC3)[N+](=O)[O-]
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Product OPENEYE NAME: 5-nitro-2-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propylamino]benzonitrile
CAS Name: 5-nitro-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propylamino]benzonitrile
IUPAC NAME: 5-nitro-2-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylamino]benzonitrile
SYSTEMATIC NAME: 5-nitro-2-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propylamino]benzenecarbonitrile
MOLECULAR FORMULA: C16H14F3N5O2
MOLECULAR WEIGHT: 365.30987
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)NCCCNC2=NC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: N-(4-methylsulfonyl-2-nitro-phenyl)-N'-[5-(trifluoromethyl)-2-pyridyl]propane-1,3-diamine
CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
IUPAC NAME: N-(4-methylsulfonyl-2-nitrophenyl)-N'-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine
SYSTEMATIC NAME: N-(4-methylsulfonyl-2-nitro-phenyl)-N'-[5-(trifluoromethyl)pyridin-2-yl]propane-1,3-diamine
MOLECULAR FORMULA: C16H17F3N4O4S
MOLECULAR WEIGHT: 418.39079
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)NCCCNC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]
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