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

Systemtic Name: [5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[cyclopropyl(3-methylbutanoyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[cyclopropyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C2CC2

Isomeric SMILES

CC(C)CC(=O)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C2CC2

InChI

InChI=1S/C19H29NO5S/c1-13(2)10-19(21)20(16-7-8-16)12-15-6-9-17(24-5)18(11-15)25-26(22,23)14(3)4/h6,9,11,13-14,16H,7-8,10,12H2,1-5H3