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

Systemtic Name: [3-[[2-methoxyethyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(pelargonyl)amino]methyl]phenyl] ester Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO5S/c1-4-6-7-8-9-10-14-21(23)22(15-16-26-3)18-19-12-11-13-20(17-19)27-28(24,25)5-2/h11-13,17H,4-10,14-16,18H2,1-3H3