[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[3-(trifluoromethyl)benzyl]carbamoyl]phenyl] ester Formula: C21H15F3N2O6S MolecularWeight: 480.41381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15F3N2O6S/c22-21(23,24)16-4-1-3-14(11-16)13-25-20(27)15-7-9-18(10-8-15)32-33(30,31)19-6-2-5-17(12-19)26(28)29/h1-12H,13H2,(H,25,27)