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

Systemtic Name: [3-[[decanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[decanoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl(1-oxodecyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[decanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[capryl(isobutyl)amino]methyl]phenyl] ester Formula: C23H39NO4S MolecularWeight: 425.62506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO4S/c1-5-7-8-9-10-11-12-16-23(25)24(18-20(3)4)19-21-14-13-15-22(17-21)28-29(26,27)6-2/h13-15,17,20H,5-12,16,18-19H2,1-4H3