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

Systemtic Name: 5-methyl-1-(4-methylphenyl)-3-[3-[(phenylmethyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-[3-(benzylsulfonylamino)phenyl]-5-methyl-1-(p-tolyl)pyrazole-4-carboxylic acid CAS Name: 5-methyl-1-(4-methylphenyl)-3-[3-[(phenylmethyl)sulfonylamino]phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-[3-(benzylsulfonylamino)phenyl]-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 3-[3-(benzylsulfonylamino)phenyl]-5-methyl-1-(p-tolyl)pyrazole-4-carboxylic acid Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC(=CC=C3)NS(=O)(=O)CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC(=CC=C3)NS(=O)(=O)CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C25H23N3O4S/c1-17-11-13-22(14-12-17)28-18(2)23(25(29)30)24(26-28)20-9-6-10-21(15-20)27-33(31,32)16-19-7-4-3-5-8-19/h3-15,27H,16H2,1-2H3,(H,29,30)