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

Systemtic Name: [4-[[furan-2-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[furan-2-carbonyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-furanylmethyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-furfuryl(2-furoyl)amino]methyl]phenyl] ester Formula: C23H18FNO6S MolecularWeight: 455.455523

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4

Isomeric SMILES

C1=COC(=C1)CN(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H18FNO6S/c24-18-7-11-21(12-8-18)32(27,28)31-19-9-5-17(6-10-19)15-25(16-20-3-1-13-29-20)23(26)22-4-2-14-30-22/h1-14H,15-16H2