[2-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [2-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [2-[[isopropyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-[[isobutyryl(isopropyl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=CC=C1OS(=O)(=O)C(C)C)C(C)C

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=CC=C1OS(=O)(=O)C(C)C)C(C)C

InChI

InChI=1S/C17H27NO4S/c1-12(2)17(19)18(13(3)4)11-15-9-7-8-10-16(15)22-23(20,21)14(5)6/h7-10,12-14H,11H2,1-6H3