[4-[[oxolan-2-ylmethyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[oxolan-2-ylmethyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-phenylsulfanylacetyl)-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[oxolan-2-ylmethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[2-(phenylthio)acetyl]-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S2/c1-29(24,25)27-18-11-9-17(10-12-18)14-22(15-19-6-5-13-26-19)21(23)16-28-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-16H2,1H3