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

Systemtic Name: [3-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(pelargonyl)amino]methyl]phenyl] ester Formula: C22H37NO4S MolecularWeight: 411.59848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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