[3-[[2-methoxyethyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-(3,5,5-trimethyl-1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(3,5,5-trimethylhexanoyl)amino]methyl]phenyl] ester Formula: C21H35NO5S MolecularWeight: 413.5713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO5S/c1-7-28(24,25)27-19-10-8-9-18(14-19)16-22(11-12-26-6)20(23)13-17(2)15-21(3,4)5/h8-10,14,17H,7,11-13,15-16H2,1-6H3