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

Systemtic Name: [4-chloranyl-2-[[furan-2-ylcarbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[furan-2-carbonyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-furanylmethyl-[2-furanyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[2-furfuryl(2-furoyl)amino]methyl]phenyl] ester Formula: C23H17ClFNO6S MolecularWeight: 489.900583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClFNO6S/c24-17-5-10-21(32-33(28,29)20-8-6-18(25)7-9-20)16(13-17)14-26(15-19-3-1-11-30-19)23(27)22-4-2-12-31-22/h1-13H,14-15H2