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

Systemtic Name: [4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl] ester IUPAC Name: [4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] ester Formula: C20H13F3N2O6S MolecularWeight: 466.38723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13F3N2O6S/c21-20(22,23)14-3-1-4-15(11-14)24-19(26)13-7-9-17(10-8-13)31-32(29,30)18-6-2-5-16(12-18)25(27)28/h1-12H,(H,24,26)