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

Systemtic Name: 5-methyl-1-phenyl-3-[3-[(phenylmethyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-[3-(benzylsulfonylamino)phenyl]-5-methyl-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-methyl-1-phenyl-3-[3-[(phenylmethyl)sulfonylamino]phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-[3-(benzylsulfonylamino)phenyl]-5-methyl-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[3-(benzylsulfonylamino)phenyl]-5-methyl-1-phenyl-pyrazole-4-carboxylic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC(=CC=C3)NS(=O)(=O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC(=CC=C3)NS(=O)(=O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H21N3O4S/c1-17-22(24(28)29)23(25-27(17)21-13-6-3-7-14-21)19-11-8-12-20(15-19)26-32(30,31)16-18-9-4-2-5-10-18/h2-15,26H,16H2,1H3,(H,28,29)