[3-[[2-methoxyethyl(propanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methoxyethyl(propanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl(propanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl(1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(propanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl(propionyl)amino]methyl]phenyl] ester Formula: C15H23NO5S MolecularWeight: 329.41182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)CC

Isomeric SMILES

CCC(=O)N(CCOC)CC1=CC(=CC=C1)OS(=O)(=O)CC

InChI

InChI=1S/C15H23NO5S/c1-4-15(17)16(9-10-20-3)12-13-7-6-8-14(11-13)21-22(18,19)5-2/h6-8,11H,4-5,9-10,12H2,1-3H3