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

Systemtic Name: [4-[[(4-fluorophenyl)methyl-heptanoyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-heptanoyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-fluorophenyl)methyl-(1-oxoheptyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-heptanoylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[enanthyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C22H28FNO4S MolecularWeight: 421.525423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FNO4S/c1-3-4-5-6-7-22(25)24(16-18-8-12-20(23)13-9-18)17-19-10-14-21(15-11-19)28-29(2,26)27/h8-15H,3-7,16-17H2,1-2H3