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

Systemtic Name: [4-[[(4-fluorophenyl)methyl-pentanoyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-pentanoyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-fluorophenyl)methyl-(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-pentanoylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-fluorobenzyl)-valeryl-amino]methyl]phenyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C20H24FNO4S/c1-3-4-5-20(23)22(14-16-6-10-18(21)11-7-16)15-17-8-12-19(13-9-17)26-27(2,24)25/h6-13H,3-5,14-15H2,1-2H3