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

Systemtic Name: [5-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl(8-quinolylsulfonyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl(8-quinolinylsulfonyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl(8-quinolylsulfonyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C28H23FN2O7S2 MolecularWeight: 582.619823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)OS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H23FN2O7S2/c1-36-25-14-9-20(17-26(25)38-40(34,35)24-12-10-22(29)11-13-24)18-31(19-23-7-4-16-37-23)39(32,33)27-8-2-5-21-6-3-15-30-28(21)27/h2-17H,18-19H2,1H3