[2-methoxy-5-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isobutyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[2-methylpropanoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isobutyl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H31NO5S MolecularWeight: 385.51814

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO5S/c1-13(2)11-20(19(21)14(3)4)12-16-8-9-17(24-7)18(10-16)25-26(22,23)15(5)6/h8-10,13-15H,11-12H2,1-7H3