5-methyl-1-(4-methylphenyl)-3-[4-(methylsulfonylamino)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-1-(4-methylphenyl)-3-[4-(methylsulfonylamino)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-[4-(methanesulfonamido)phenyl]-5-methyl-1-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 3-[4-(methanesulfonamido)phenyl]-5-methyl-1-(4-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-[4-(methanesulfonamido)phenyl]-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-[4-(methanesulfonamido)phenyl]-5-methyl-1-(p-tolyl)pyrazole-4-carboxylic acid Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)C(=O)O)C

InChI

InChI=1S/C19H19N3O4S/c1-12-4-10-16(11-5-12)22-13(2)17(19(23)24)18(20-22)14-6-8-15(9-7-14)21-27(3,25)26/h4-11,21H,1-3H3,(H,23,24)