ethyl 2-[[4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoyl]amino]benzoate CAS Name: 2-[[[4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoyl]amino]benzoate Traditional Name: 2-[[4-chloro-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-sulfamoyl]benzoyl]amino]benzoic acid ethyl ester Formula: C28H27ClN4O6S MolecularWeight: 583.05518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C28H27ClN4O6S/c1-5-39-28(36)21-13-9-10-14-23(21)30-26(34)19-15-16-22(29)24(17-19)40(37,38)32(4)25-18(2)31(3)33(27(25)35)20-11-7-6-8-12-20/h6-17H,5H2,1-4H3,(H,30,34)