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

Systemtic Name: [3-[[2-methoxyethyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-methoxyethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methoxyethyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-methoxyethyl-[2-(phenylthio)acetyl]amino]methyl]phenyl] ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C19H23NO5S2/c1-24-12-11-20(19(21)15-26-18-9-4-3-5-10-18)14-16-7-6-8-17(13-16)25-27(2,22)23/h3-10,13H,11-12,14-15H2,1-2H3