[4-[[butyl(octanoyl)amino]methyl]phenyl] methanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4S/c1-4-6-8-9-10-11-20(22)21(16-7-5-2)17-18-12-14-19(15-13-18)25-26(3,23)24/h12-15H,4-11,16-17H2,1-3H3