[4-[[butanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[butanoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[1-oxobutyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[butyryl(isopropyl)amino]methyl]phenyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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