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

Systemtic Name: [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(3,3-dimethyl-1-oxobutyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H31NO6S MolecularWeight: 401.51754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO6S/c1-7-27(22,23)26-17-12-15(8-9-16(17)25-6)14-20(10-11-24-5)18(21)13-19(2,3)4/h8-9,12H,7,10-11,13-14H2,1-6H3