[4-[[(phenylmethyl)-[3-(trifluoromethyl)phenyl]carbonyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(phenylmethyl)-[3-(trifluoromethyl)phenyl]carbonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[benzyl-[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[oxo-[3-(trifluoromethyl)phenyl]methyl]-(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzyl-[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[benzyl-[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl] ester Formula: C23H20F3NO4S MolecularWeight: 463.46941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H20F3NO4S/c1-32(29,30)31-21-12-10-18(11-13-21)16-27(15-17-6-3-2-4-7-17)22(28)19-8-5-9-20(14-19)23(24,25)26/h2-14H,15-16H2,1H3