[4-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-furylmethyl(8-quinolylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-furanylmethyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-furfuryl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C27H21FN2O6S2 MolecularWeight: 552.593843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)N(CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)N(CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=CO5)N=CC=C2

InChI

InChI=1S/C27H21FN2O6S2/c28-22-10-14-25(15-11-22)38(33,34)36-23-12-8-20(9-13-23)18-30(19-24-6-3-17-35-24)37(31,32)26-7-1-4-21-5-2-16-29-27(21)26/h1-17H,18-19H2