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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C24H23F2NO4S/c1-3-17(2)27(24(28)22-9-4-5-10-23(22)26)16-18-7-6-8-20(15-18)31-32(29,30)21-13-11-19(25)12-14-21/h4-15,17H,3,16H2,1-2H3