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

Systemtic Name: [4-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methylpropyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[caprylyl(isobutyl)amino]methyl]phenyl] ester Formula: C25H34FNO4S MolecularWeight: 463.605163

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34FNO4S/c1-4-5-6-7-8-9-25(28)27(18-20(2)3)19-21-10-14-23(15-11-21)31-32(29,30)24-16-12-22(26)13-17-24/h10-17,20H,4-9,18-19H2,1-3H3