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

Systemtic Name: [5-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[ethylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[ethylcarbamoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H30N2O5S MolecularWeight: 386.5062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O5S/c1-7-19-18(21)20(11-13(2)3)12-15-8-9-16(24-6)17(10-15)25-26(22,23)14(4)5/h8-10,13-14H,7,11-12H2,1-6H3,(H,19,21)