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

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(3-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C17H13F3N2O3S MolecularWeight: 382.35693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O3S/c1-12-6-5-7-13(10-12)22-16(11-15(21-22)17(18,19)20)25-26(23,24)14-8-3-2-4-9-14/h2-11H,1H3