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

Systemtic Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[cyclopropyl(2-methylpropanoyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[cyclopropyl(isobutyryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C18H27NO5S MolecularWeight: 369.47568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5S/c1-12(2)18(20)19(15-7-8-15)11-14-6-9-16(23-5)17(10-14)24-25(21,22)13(3)4/h6,9-10,12-13,15H,7-8,11H2,1-5H3