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

Systemtic Name: 4-[(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)sulfamoyl]benzoic acid Openeye Name: 4-[(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoic acid CAS Name: 4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)sulfamoyl]benzoic acid IUPAC Name: 4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzoic acid Traditional Name: 4-[(5-isopropyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21N3O5S/c1-13(2)18-17(19(24)23(22(18)3)15-7-5-4-6-8-15)21-29(27,28)16-11-9-14(10-12-16)20(25)26/h4-13,21H,1-3H3,(H,25,26)