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

Systemtic Name: [3-[[furan-2-ylmethyl(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl-(2-phenoxyacetyl)amino]methyl]phenyl] ester Formula: C26H22FNO6S MolecularWeight: 495.519383

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H22FNO6S/c27-21-11-13-25(14-12-21)35(30,31)34-23-9-4-6-20(16-23)17-28(18-24-10-5-15-32-24)26(29)19-33-22-7-2-1-3-8-22/h1-16H,17-19H2