[5-[[hexanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[hexanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[hexanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [5-[[hexanoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[caproyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-6-8-9-10-20(22)21(14-16(3)4)15-17-11-12-18(25-5)19(13-17)26-27(23,24)7-2/h11-13,16H,6-10,14-15H2,1-5H3