[3-[[furan-2-ylmethyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl-[2-(phenylthio)acetyl]amino]methyl]phenyl] ester Formula: C26H22FNO5S2 MolecularWeight: 511.584983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C26H22FNO5S2/c27-21-11-13-25(14-12-21)35(30,31)33-22-7-4-6-20(16-22)17-28(18-23-8-5-15-32-23)26(29)19-34-24-9-2-1-3-10-24/h1-16H,17-19H2