[3-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl(octanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[caprylyl(isobutyl)amino]methyl]phenyl] ester Formula: C21H35NO4S MolecularWeight: 397.5719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO4S/c1-5-7-8-9-10-14-21(23)22(16-18(3)4)17-19-12-11-13-20(15-19)26-27(24,25)6-2/h11-13,15,18H,5-10,14,16-17H2,1-4H3