[2-methoxy-5-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyryl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C17H27NO6S MolecularWeight: 373.46438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO6S/c1-6-25(20,21)24-16-11-14(7-8-15(16)23-5)12-18(9-10-22-4)17(19)13(2)3/h7-8,11,13H,6,9-10,12H2,1-5H3