[3-[[(3-chlorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[(3-chlorophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(3-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(3-chlorophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(3-chlorobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C24H21ClF3NO5S MolecularWeight: 527.94045

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H21ClF3NO5S/c1-33-12-11-29(23(30)18-6-3-8-20(25)14-18)16-17-5-2-9-21(13-17)34-35(31,32)22-10-4-7-19(15-22)24(26,27)28/h2-10,13-15H,11-12,16H2,1H3