[2-methoxy-5-[[2-methylpropyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isobutyl(3,5,5-trimethylhexanoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methylpropyl-(3,5,5-trimethyl-1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(3,5,5-trimethylhexanoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H39NO5S MolecularWeight: 441.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)CC(C)CC(C)(C)C)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)CC(C)CC(C)(C)C)OC

InChI

InChI=1S/C23H39NO5S/c1-9-30(26,27)29-21-13-19(10-11-20(21)28-8)16-24(15-17(2)3)22(25)12-18(4)14-23(5,6)7/h10-11,13,17-18H,9,12,14-16H2,1-8H3