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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO5S/c1-9-18(4)24(22(25)13-17(3)15-23(5,6)7)16-19-11-12-20(28-8)21(14-19)29-30(26,27)10-2/h11-12,14,17-18H,9-10,13,15-16H2,1-8H3