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

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isovaleryl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H31NO6S MolecularWeight: 401.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCOC)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CC(=O)N(CCOC)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C

InChI

InChI=1S/C19H31NO6S/c1-14(2)11-19(21)20(9-10-24-5)13-16-7-8-17(25-6)18(12-16)26-27(22,23)15(3)4/h7-8,12,14-15H,9-11,13H2,1-6H3