[4-[[(4-fluorophenyl)methyl-octanoyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methyl-octanoyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-octanoyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorophenyl)methyl-(1-oxooctyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-octanoylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[caprylyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C28H31F2NO4S MolecularWeight: 515.611846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)F

InChI

InChI=1S/C28H31F2NO4S/c1-2-3-4-5-6-7-28(32)31(20-22-8-12-24(29)13-9-22)21-23-10-16-26(17-11-23)35-36(33,34)27-18-14-25(30)15-19-27/h8-19H,2-7,20-21H2,1H3