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

Systemtic Name: [2-methoxy-5-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isopropyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[3-methylbutanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isopropyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H31NO5S MolecularWeight: 385.51814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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