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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(pentanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(valeryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H31NO5S MolecularWeight: 385.51814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO5S/c1-6-8-9-19(21)20(13-15(3)4)14-16-10-11-17(24-5)18(12-16)25-26(22,23)7-2/h10-12,15H,6-9,13-14H2,1-5H3