[3-[[decanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[decanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[decanoyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[1-oxodecyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[decanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[capryl(isopropyl)amino]methyl]phenyl] ester Formula: C22H37NO4S MolecularWeight: 411.59848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO4S/c1-5-7-8-9-10-11-12-16-22(24)23(19(3)4)18-20-14-13-15-21(17-20)27-28(25,26)6-2/h13-15,17,19H,5-12,16,18H2,1-4H3