[3-[[(2-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[(2-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(2-ethoxyphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(2-ethoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isobutyl(o-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C27H29F3N2O5S MolecularWeight: 550.58977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)CC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)CC(C)C

InChI

InChI=1S/C27H29F3N2O5S/c1-4-36-25-14-6-5-13-24(25)31-26(33)32(17-19(2)3)18-20-9-7-11-22(15-20)37-38(34,35)23-12-8-10-21(16-23)27(28,29)30/h5-16,19H,4,17-18H2,1-3H3,(H,31,33)