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

Systemtic Name: [3-[[butan-2-yl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[nonanoyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl(1-oxononyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(nonanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[pelargonyl(sec-butyl)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)C(C)CC

Isomeric SMILES

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

InChI

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