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

Systemtic Name: [3-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl(nonanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl(pelargonyl)amino]methyl]phenyl] ester Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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