[5-[[(4-ethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [5-[[(4-ethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[(4-ethoxyphenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[[(4-ethoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-ethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[isopropyl(p-phenetylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C27H29F3N2O6S MolecularWeight: 566.58917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=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

CCOC1=CC=C(C=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/C27H29F3N2O6S/c1-5-37-22-12-10-21(11-13-22)31-26(33)32(18(2)3)17-19-9-14-24(36-4)25(15-19)38-39(34,35)23-8-6-7-20(16-23)27(28,29)30/h6-16,18H,5,17H2,1-4H3,(H,31,33)