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

Systemtic Name: 3,4-dimethyl-5-[(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]-4,5-dimethyl-benzoic acid CAS Name: 3,4-dimethyl-5-[(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(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]-4,5-dimethyl-benzoic acid Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-13(2)20-19(21(26)25(24(20)5)17-9-7-6-8-10-17)23-31(29,30)18-12-16(22(27)28)11-14(3)15(18)4/h6-13,23H,1-5H3,(H,27,28)