[4-[[octanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[octanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isopropyl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[1-oxooctyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[[octanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[caprylyl(isopropyl)amino]methyl]phenyl] ester Formula: C24H32FNO4S MolecularWeight: 449.578583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(C)C

Isomeric SMILES

CCCCCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(C)C

InChI

InChI=1S/C24H32FNO4S/c1-4-5-6-7-8-9-24(27)26(19(2)3)18-20-10-14-22(15-11-20)30-31(28,29)23-16-12-21(25)13-17-23/h10-17,19H,4-9,18H2,1-3H3