[3-[[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[isobutyl(1-naphthylcarbamoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[2-methylpropyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isobutyl(1-naphthylcarbamoyl)amino]methyl]phenyl] ester Formula: C29H27F3N2O4S MolecularWeight: 556.59589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H27F3N2O4S/c1-20(2)18-34(28(35)33-27-15-6-10-22-9-3-4-14-26(22)27)19-21-8-5-12-24(16-21)38-39(36,37)25-13-7-11-23(17-25)29(30,31)32/h3-17,20H,18-19H2,1-2H3,(H,33,35)