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

Systemtic Name: 4-methoxy-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-methoxy-benzoic acid CAS Name: 4-methoxy-3-[(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-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-methoxy-benzoic acid Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-13(2)19-18(20(25)24(23(19)3)15-8-6-5-7-9-15)22-31(28,29)17-12-14(21(26)27)10-11-16(17)30-4/h5-13,22H,1-4H3,(H,26,27)