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

Systemtic Name: [5-[[butan-2-yl(octanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[octanoyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl(1-oxooctyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(octanoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[caprylyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H37NO5S MolecularWeight: 427.59788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO5S/c1-6-9-10-11-12-13-22(24)23(18(4)7-2)17-19-14-15-20(27-5)21(16-19)28-29(25,26)8-3/h14-16,18H,6-13,17H2,1-5H3