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

Systemtic Name: [3-[[butan-2-yl(nonanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[nonanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[pelargonyl(sec-butyl)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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(C)CC

Isomeric SMILES

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

InChI

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