[2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methoxyphenyl)-5-phenylpyrazol-3-yl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C23H17F3N2O4S MolecularWeight: 474.45229

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H17F3N2O4S/c1-31-19-12-10-18(11-13-19)28-22(15-21(27-28)16-6-3-2-4-7-16)32-33(29,30)20-9-5-8-17(14-20)23(24,25)26/h2-15H,1H3