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

Systemtic Name: [4-[[butan-2-yl-(4-methylphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-methylbenzoyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[(4-methylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(4-methylbenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[p-toluoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C25H26FNO4S MolecularWeight: 455.541643

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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26FNO4S/c1-4-19(3)27(25(28)21-9-5-18(2)6-10-21)17-20-7-13-23(14-8-20)31-32(29,30)24-15-11-22(26)12-16-24/h5-16,19H,4,17H2,1-3H3