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

Systemtic Name: [4-[[(4-fluorophenyl)methyl-pentanoyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-pentanoyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorophenyl)methyl-(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-pentanoylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorobenzyl)-valeryl-amino]methyl]phenyl] ester Formula: C25H25F2NO4S MolecularWeight: 473.532106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(=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/C25H25F2NO4S/c1-2-3-4-25(29)28(17-19-5-9-21(26)10-6-19)18-20-7-13-23(14-8-20)32-33(30,31)24-15-11-22(27)12-16-24/h5-16H,2-4,17-18H2,1H3