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

Systemtic Name: [3-[[butan-2-yl(heptanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[heptanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl(1-oxoheptyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(heptanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[enanthyl(sec-butyl)amino]methyl]phenyl] ester Formula: C24H32FNO4S MolecularWeight: 449.578583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32FNO4S/c1-4-6-7-8-12-24(27)26(19(3)5-2)18-20-10-9-11-22(17-20)30-31(28,29)23-15-13-21(25)14-16-23/h9-11,13-17,19H,4-8,12,18H2,1-3H3