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

Systemtic Name: 4-methyl-3-[(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(5-isopropyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-4-methyl-benzoic acid Formula: C21H23N3O5S MolecularWeight: 429.48942

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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(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(C)C

InChI

InChI=1S/C21H23N3O5S/c1-13(2)19-18(20(25)24(23(19)4)16-8-6-5-7-9-16)22-30(28,29)17-12-15(21(26)27)11-10-14(17)3/h5-13,22H,1-4H3,(H,26,27)