[4-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isobutyl(octanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-methylpropyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[caprylyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H33NO4S MolecularWeight: 383.54532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-5-6-7-8-9-10-20(22)21(15-17(2)3)16-18-11-13-19(14-12-18)25-26(4,23)24/h11-14,17H,5-10,15-16H2,1-4H3