[3-[[propan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[propan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[isopropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[oxo-[2-(trifluoromethyl)anilino]methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[isopropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C25H22F6N2O4S MolecularWeight: 560.508599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C25H22F6N2O4S/c1-16(2)33(23(34)32-22-12-4-3-11-21(22)25(29,30)31)15-17-7-5-9-19(13-17)37-38(35,36)20-10-6-8-18(14-20)24(26,27)28/h3-14,16H,15H2,1-2H3,(H,32,34)