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

Systemtic Name: [3-[[2-methoxyethyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[2-methoxyethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methoxyethyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[2-methoxyethyl-[2-(phenylthio)acetyl]amino]methyl]phenyl] ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CCOC)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C20H25NO5S2/c1-3-28(23,24)26-18-9-7-8-17(14-18)15-21(12-13-25-2)20(22)16-27-19-10-5-4-6-11-19/h4-11,14H,3,12-13,15-16H2,1-2H3