[4-[[3-methoxypropyl(octanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methoxypropyl(octanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl(octanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl(octanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[caprylyl(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCCOC)CC1=CC=C(C=C1)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCC(=O)N(CCCOC)CC1=CC=C(C=C1)OS(=O)(=O)C

InChI

InChI=1S/C20H33NO5S/c1-4-5-6-7-8-10-20(22)21(15-9-16-25-2)17-18-11-13-19(14-12-18)26-27(3,23)24/h11-14H,4-10,15-17H2,1-3H3