[2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] butane-1-sulfonate

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] butane-1-sulfonate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C15H17F3N2O3S MolecularWeight: 362.36729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC(=NN1C2=CC=CC(=C2)C)C(F)(F)F

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC(=NN1C2=CC=CC(=C2)C)C(F)(F)F

InChI

InChI=1S/C15H17F3N2O3S/c1-3-4-8-24(21,22)23-14-10-13(15(16,17)18)19-20(14)12-7-5-6-11(2)9-12/h5-7,9-10H,3-4,8H2,1-2H3