N-diethoxyphosphoryl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: N-diethoxyphosphoryl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: N-diethoxyphosphoryl-4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: N-diethoxyphosphoryl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: N-diethoxyphosphoryl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: N-diethoxyphosphoryl-4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C21H23F3N3O5PS MolecularWeight: 517.458391

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOP(=O)(NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C21H23F3N3O5PS/c1-4-31-33(28,32-5-2)26-34(29,30)18-12-10-17(11-13-18)27-19(14-20(25-27)21(22,23)24)16-8-6-15(3)7-9-16/h6-14H,4-5H2,1-3H3,(H,26,28)