[2-[[(4-fluorophenyl)methyl-(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-[[(4-fluorophenyl)methyl-(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [2-[[(4-fluorophenyl)methyl-(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[(4-fluorophenyl)methyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[(4-fluorophenyl)methyl-(3-methylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[(4-fluorobenzyl)-isovaleryl-amino]methyl]phenyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CC=C2OS(=O)(=O)C

Isomeric SMILES

CC(C)CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=CC=C2OS(=O)(=O)C

InChI

InChI=1S/C20H24FNO4S/c1-15(2)12-20(23)22(13-16-8-10-18(21)11-9-16)14-17-6-4-5-7-19(17)26-27(3,24)25/h4-11,15H,12-14H2,1-3H3