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

Systemtic Name: [4-[[butanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[butanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-fluorophenyl)methyl-(1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[butyryl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C19H22FNO4S MolecularWeight: 379.445683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO4S/c1-3-4-19(22)21(13-15-5-9-17(20)10-6-15)14-16-7-11-18(12-8-16)25-26(2,23)24/h5-12H,3-4,13-14H2,1-2H3