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

Systemtic Name: [3-[[butan-2-yl(octanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[octanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(octanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[caprylyl(sec-butyl)amino]methyl]phenyl] ester Formula: C25H34FNO4S MolecularWeight: 463.605163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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