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

Systemtic Name: [4-[[3-methylbutyl(octanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(octanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl(octanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[caprylyl(isoamyl)amino]methyl]phenyl] ester Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO4S/c1-5-6-7-8-9-10-21(23)22(16-15-18(2)3)17-19-11-13-20(14-12-19)26-27(4,24)25/h11-14,18H,5-10,15-17H2,1-4H3