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

Systemtic Name: [3-[[furan-2-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[furan-2-carbonyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(2-furoyl)amino]methyl]phenyl] ester Formula: C23H18FNO6S MolecularWeight: 455.455523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN(CC3=CC=CO3)C(=O)C4=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN(CC3=CC=CO3)C(=O)C4=CC=CO4

InChI

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