[4-[[(2-ethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-[[(2-ethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[(2-ethoxyphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[(2-ethoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[isopropyl(o-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C26H27F3N2O5S MolecularWeight: 536.56319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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