[4-[[2-methylpropyl(propanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-methylpropyl(propanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl(propanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methylpropyl(1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(propanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isobutyl(propionyl)amino]methyl]phenyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO4S/c1-4-20(23)22(13-15(2)3)14-16-5-9-18(10-6-16)26-27(24,25)19-11-7-17(21)8-12-19/h5-12,15H,4,13-14H2,1-3H3