[2-cyano-2,2-bis(4-fluorophenyl)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-cyano-2,2-bis(4-fluorophenyl)ethyl] 4-methylbenzenesulfonate Openeye Name: [2-cyano-2,2-bis(4-fluorophenyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-cyano-2,2-bis(4-fluorophenyl)ethyl] ester IUPAC Name: [2-cyano-2,2-bis(4-fluorophenyl)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-cyano-2,2-bis(4-fluorophenyl)ethyl] ester Formula: C22H17F2NO3S MolecularWeight: 413.437086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C#N)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C#N)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H17F2NO3S/c1-16-2-12-21(13-3-16)29(26,27)28-15-22(14-25,17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h2-13H,15H2,1H3