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

Systemtic Name: [5-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(3,3-dimethyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H33NO5S MolecularWeight: 399.54472

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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)(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO5S/c1-8-27(23,24)26-18-11-16(9-10-17(18)25-7)14-21(13-15(2)3)19(22)12-20(4,5)6/h9-11,15H,8,12-14H2,1-7H3