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

Systemtic Name: [5-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H35NO5S/c1-15(2)13-22(20(23)12-21(5,6)7)14-17-9-10-18(26-8)19(11-17)27-28(24,25)16(3)4/h9-11,15-16H,12-14H2,1-8H3