[4-chloranyl-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C20H16ClF2NO3S MolecularWeight: 423.860746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CC=C1CNCC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C20H16ClF2NO3S/c21-16-3-10-20(27-28(25,26)19-8-6-18(23)7-9-19)15(11-16)13-24-12-14-1-4-17(22)5-2-14/h1-11,24H,12-13H2