[3-[[(2-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[(2-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl(o-tolylcarbamoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2-methylanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-methylphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl(o-tolylcarbamoyl)amino]methyl]phenyl] ester Formula: C25H27FN2O4S MolecularWeight: 470.556283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

InChI

InChI=1S/C25H27FN2O4S/c1-18(2)16-28(25(29)27-24-10-5-4-7-19(24)3)17-20-8-6-9-22(15-20)32-33(30,31)23-13-11-21(26)12-14-23/h4-15,18H,16-17H2,1-3H3,(H,27,29)