[3-[[(4-methoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[(4-methoxyphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[isopropyl-(4-methoxybenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(4-methoxyphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methoxybenzoyl)-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isopropyl(p-anisoyl)amino]methyl]phenyl] ester Formula: C25H24F3NO5S MolecularWeight: 507.52197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H24F3NO5S/c1-17(2)29(24(30)19-10-12-21(33-3)13-11-19)16-18-6-4-8-22(14-18)34-35(31,32)23-9-5-7-20(15-23)25(26,27)28/h4-15,17H,16H2,1-3H3