[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [5-phenyl-2-(p-tolyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-(4-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-phenylpyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-phenyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C24H21N3O4S/c1-17-8-12-21(13-9-17)27-24(16-23(26-27)19-6-4-3-5-7-19)31-32(29,30)22-14-10-20(11-15-22)25-18(2)28/h3-16H,1-2H3,(H,25,28)