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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=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)27-22-8-4-6-19(3)14-22)17-20-7-5-9-23(15-20)32-33(30,31)24-12-10-21(26)11-13-24/h4-15,18H,16-17H2,1-3H3,(H,27,29)