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

Systemtic Name: 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-4-methyl-benzoic acid Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H19N3O5S/c1-12-9-10-14(19(24)25)11-16(12)28(26,27)20-17-13(2)21(3)22(18(17)23)15-7-5-4-6-8-15/h4-11,20H,1-3H3,(H,24,25)