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

Systemtic Name: [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[3,3-dimethylbutanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H33NO6S MolecularWeight: 415.54412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO6S/c1-15(2)28(23,24)27-18-12-16(8-9-17(18)26-7)14-21(10-11-25-6)19(22)13-20(3,4)5/h8-9,12,15H,10-11,13-14H2,1-7H3