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

Systemtic Name: [5-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C19H27NO5S MolecularWeight: 381.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3CCC3)OC

Isomeric SMILES

CC(C)S(=O)(=O)OC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3CCC3)OC

InChI

InChI=1S/C19H27NO5S/c1-13(2)26(22,23)25-18-11-14(7-10-17(18)24-3)12-20(16-8-9-16)19(21)15-5-4-6-15/h7,10-11,13,15-16H,4-6,8-9,12H2,1-3H3