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

Systemtic Name: [3-[[butan-2-yl(octanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[octanoyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(octanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[caprylyl(sec-butyl)amino]methyl]phenyl] ester Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO4S/c1-5-8-9-10-11-15-21(23)22(18(4)6-2)17-19-13-12-14-20(16-19)26-27(24,25)7-3/h12-14,16,18H,5-11,15,17H2,1-4H3