[4-[[3-methoxypropyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methoxypropyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl-[2-(phenylthio)acetyl]amino]methyl]phenyl] ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S2/c1-25-14-6-13-21(20(22)16-27-19-7-4-3-5-8-19)15-17-9-11-18(12-10-17)26-28(2,23)24/h3-5,7-12H,6,13-16H2,1-2H3