[2-methoxy-5-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-methoxy-5-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [5-[[isopropyl(thiophene-2-carbonyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-methoxy-5-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isopropyl(2-thenoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)C2=CC=CS2

InChI

InChI=1S/C19H25NO5S2/c1-13(2)20(19(21)18-7-6-10-26-18)12-15-8-9-16(24-5)17(11-15)25-27(22,23)14(3)4/h6-11,13-14H,12H2,1-5H3