[2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-4-chloranyl-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-4-chloranyl-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(isobutyl)amino]methyl]-4-chloro-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-(2-methylpropyl)amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(2-methylpropyl)amino]methyl]-4-chlorophenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[tert-butylcarbamoyl(isobutyl)amino]methyl]-4-chloro-phenyl] ester Formula: C22H28ClFN2O4S MolecularWeight: 470.985123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClFN2O4S/c1-15(2)13-26(21(27)25-22(3,4)5)14-16-12-17(23)6-11-20(16)30-31(28,29)19-9-7-18(24)8-10-19/h6-12,15H,13-14H2,1-5H3,(H,25,27)