[5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[[(cyclohexylamino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[cyclohexylcarbamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H31F3N2O6S MolecularWeight: 544.58365

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3CCCCC3

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3CCCCC3

InChI

InChI=1S/C25H31F3N2O6S/c1-34-14-13-30(24(31)29-20-8-4-3-5-9-20)17-18-11-12-22(35-2)23(15-18)36-37(32,33)21-10-6-7-19(16-21)25(26,27)28/h6-7,10-12,15-16,20H,3-5,8-9,13-14,17H2,1-2H3,(H,29,31)