[4-[[butan-2-yl(phenylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl(phenylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[benzoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[benzoyl(butan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzoyl(butan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[benzoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C24H24FNO4S MolecularWeight: 441.515063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H24FNO4S/c1-3-18(2)26(24(27)20-7-5-4-6-8-20)17-19-9-13-22(14-10-19)30-31(28,29)23-15-11-21(25)12-16-23/h4-16,18H,3,17H2,1-2H3