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

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

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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(=CC=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(=CC=C3)OC

InChI

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