[3-[[2,2-dimethylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2,2-dimethylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2,2-dimethylpropanoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(2,2-dimethyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2,2-dimethylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl(pivaloyl)amino]methyl]phenyl] ester Formula: C22H28FNO4S MolecularWeight: 421.525423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C(C)(C)C

InChI

InChI=1S/C22H28FNO4S/c1-16(2)14-24(21(25)22(3,4)5)15-17-7-6-8-19(13-17)28-29(26,27)20-11-9-18(23)10-12-20/h6-13,16H,14-15H2,1-5H3