[3-[[decanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[decanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[decanoyl(isobutyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl(1-oxodecyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[decanoyl(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[capryl(isobutyl)amino]methyl]phenyl] ester Formula: C22H37NO4S MolecularWeight: 411.59848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO4S/c1-5-6-7-8-9-10-11-15-22(24)23(17-19(2)3)18-20-13-12-14-21(16-20)27-28(4,25)26/h12-14,16,19H,5-11,15,17-18H2,1-4H3