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

Systemtic Name: [2-methoxy-5-[[(3-methylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[isopropyl(m-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-methoxy-5-[[[(3-methylanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(3-methylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[isopropyl(m-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H27F3N2O5S MolecularWeight: 536.56319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=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=C1)NC(=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/C26H27F3N2O5S/c1-17(2)31(25(32)30-21-9-5-7-18(3)13-21)16-19-11-12-23(35-4)24(14-19)36-37(33,34)22-10-6-8-20(15-22)26(27,28)29/h5-15,17H,16H2,1-4H3,(H,30,32)