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

Systemtic Name: [3-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[caprylyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-4-6-7-8-9-13-20(22)21(14-15-25-3)17-18-11-10-12-19(16-18)26-27(23,24)5-2/h10-12,16H,4-9,13-15,17H2,1-3H3