[4-[[(4-fluorophenyl)methyl-quinolin-8-ylsulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methyl-quinolin-8-ylsulfonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(8-quinolylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorophenyl)methyl-(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-quinolin-8-ylsulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorobenzyl)-(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C29H22F2N2O5S2 MolecularWeight: 580.622186

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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=C(C=C5)F)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=C(C=C5)F)N=CC=C2

InChI

InChI=1S/C29H22F2N2O5S2/c30-24-10-6-21(7-11-24)19-33(39(34,35)28-5-1-3-23-4-2-18-32-29(23)28)20-22-8-14-26(15-9-22)38-40(36,37)27-16-12-25(31)13-17-27/h1-18H,19-20H2