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

Systemtic Name: [4-[[furan-2-ylmethyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2-benzyloxyacetyl)-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-furanylmethyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(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=C(C=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=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

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