[2-methoxy-5-[[(2-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [2-methoxy-5-[[(2-methylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[isopropyl-(2-methylbenzoyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-methoxy-5-[[[(2-methylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(2-methylbenzoyl)-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[isopropyl(o-toluoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H26F3NO5S MolecularWeight: 521.54855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(C)C

InChI

InChI=1S/C26H26F3NO5S/c1-17(2)30(25(31)22-11-6-5-8-18(22)3)16-19-12-13-23(34-4)24(14-19)35-36(32,33)21-10-7-9-20(15-21)26(27,28)29/h5-15,17H,16H2,1-4H3