[3-[[(4-fluorophenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(4-fluorophenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-fluorobenzoyl)-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(4-fluorophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-fluorobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-fluorobenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C24H23F2NO4S MolecularWeight: 459.505526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23F2NO4S/c1-17(2)15-27(24(28)19-6-8-20(25)9-7-19)16-18-4-3-5-22(14-18)31-32(29,30)23-12-10-21(26)11-13-23/h3-14,17H,15-16H2,1-2H3