4-[[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]phenyl]sulfamoyl]benzoic acid Formula: C25H22N4O6S MolecularWeight: 506.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H22N4O6S/c1-16-22(24(31)29(28(16)2)20-9-4-3-5-10-20)26-23(30)18-7-6-8-19(15-18)27-36(34,35)21-13-11-17(12-14-21)25(32)33/h3-15,27H,1-2H3,(H,26,30)(H,32,33)