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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(propanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(propanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl(1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(propanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(propionyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H27NO5S MolecularWeight: 357.46498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO5S/c1-6-17(19)18(11-13(3)4)12-14-8-9-15(22-5)16(10-14)23-24(20,21)7-2/h8-10,13H,6-7,11-12H2,1-5H3