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

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-chloranylbenzenesulfonate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O3S/c1-16-6-5-9-19(14-16)25-22(15-21(24-25)17-7-3-2-4-8-17)28-29(26,27)20-12-10-18(23)11-13-20/h2-15H,1H3