[4-[[(4-fluorophenyl)methyl-naphthalen-2-ylcarbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methyl-naphthalen-2-ylcarbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(naphthalene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorophenyl)methyl-[2-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-(naphthalene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorobenzyl)-(2-naphthoyl)amino]methyl]phenyl] ester Formula: C31H23F2NO4S MolecularWeight: 543.580426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)N(CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)N(CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F)CC5=CC=C(C=C5)F

InChI

InChI=1S/C31H23F2NO4S/c32-27-11-5-22(6-12-27)20-34(31(35)26-10-9-24-3-1-2-4-25(24)19-26)21-23-7-15-29(16-8-23)38-39(36,37)30-17-13-28(33)14-18-30/h1-19H,20-21H2