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

Systemtic Name: [3-[[furan-2-ylmethyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2-benzyloxyacetyl)-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2-benzoxyacetyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C27H24FNO6S MolecularWeight: 509.545963

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24FNO6S/c28-23-11-13-26(14-12-23)36(31,32)35-24-9-4-8-22(16-24)17-29(18-25-10-5-15-34-25)27(30)20-33-19-21-6-2-1-3-7-21/h1-16H,17-20H2