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

Systemtic Name: [3-[[furan-2-ylmethyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[2-furylmethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-furanylmethyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[2-furfuryl-[2-(phenylthio)acetyl]amino]methyl]phenyl] ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S2/c1-29(24,25)27-18-8-5-7-17(13-18)14-22(15-19-9-6-12-26-19)21(23)16-28-20-10-3-2-4-11-20/h2-13H,14-16H2,1H3