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

Systemtic Name: [4-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methylpropyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isobutyl(pelargonyl)amino]methyl]phenyl] ester Formula: C26H36FNO4S MolecularWeight: 477.631743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36FNO4S/c1-4-5-6-7-8-9-10-26(29)28(19-21(2)3)20-22-11-15-24(16-12-22)32-33(30,31)25-17-13-23(27)14-18-25/h11-18,21H,4-10,19-20H2,1-3H3