[4-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)CC)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO4S/c1-5-7-8-9-10-11-12-22(24)23(17-19(3)4)18-20-13-15-21(16-14-20)27-28(25,26)6-2/h13-16,19H,5-12,17-18H2,1-4H3