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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl(octanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methylpropyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[caprylyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO5S/c1-6-7-8-9-10-11-21(23)22(15-17(2)3)16-18-12-13-19(26-4)20(14-18)27-28(5,24)25/h12-14,17H,6-11,15-16H2,1-5H3