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

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] benzenesulfonate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S/c1-17-9-8-12-19(15-17)24-22(16-21(23-24)18-10-4-2-5-11-18)27-28(25,26)20-13-6-3-7-14-20/h2-16H,1H3