[3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C19H31NO4S MolecularWeight: 369.51874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)CC(C)(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C19H31NO4S/c1-7-25(22,23)24-17-10-8-9-16(11-17)14-20(13-15(2)3)18(21)12-19(4,5)6/h8-11,15H,7,12-14H2,1-6H3