[4-chloranyl-2-[[ethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[ethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[acetyl(isobutyl)amino]methyl]-4-chloro-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(2-methylpropyl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[acetyl(2-methylpropyl)amino]methyl]-4-chlorophenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[acetyl(isobutyl)amino]methyl]-4-chloro-phenyl] ester Formula: C19H21ClFNO4S MolecularWeight: 413.890743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFNO4S/c1-13(2)11-22(14(3)23)12-15-10-16(20)4-9-19(15)26-27(24,25)18-7-5-17(21)6-8-18/h4-10,13H,11-12H2,1-3H3