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

Systemtic Name: [4-[[furan-2-ylmethyl(2-phenylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-furylmethyl-(2-phenylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-furanylmethyl-(1-oxo-2-phenylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(2-phenylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-furfuryl-(2-phenylacetyl)amino]methyl]phenyl] ester Formula: C26H22FNO5S MolecularWeight: 479.519983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22FNO5S/c27-22-10-14-25(15-11-22)34(30,31)33-23-12-8-21(9-13-23)18-28(19-24-7-4-16-32-24)26(29)17-20-5-2-1-3-6-20/h1-16H,17-19H2