[2-methoxy-5-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(octanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[caprylyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H33NO6S MolecularWeight: 415.54412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO6S/c1-5-6-7-8-9-10-20(22)21(13-14-25-2)16-17-11-12-18(26-3)19(15-17)27-28(4,23)24/h11-12,15H,5-10,13-14,16H2,1-4H3