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

Systemtic Name: [5-[[butan-2-yl(pentanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[pentanoyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl(1-oxopentyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(pentanoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[sec-butyl(valeryl)amino]methyl]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)C(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO5S/c1-6-9-10-19(21)20(15(4)7-2)14-16-11-12-17(24-5)18(13-16)25-26(22,23)8-3/h11-13,15H,6-10,14H2,1-5H3