3-nitro-N-[3-[[3-(trifluoromethyl)phenyl]amino]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[3-[[3-(trifluoromethyl)phenyl]amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 3-nitro-N-[3-[3-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide CAS Name: 3-nitro-N-[3-[3-(trifluoromethyl)anilino]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[3-[3-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide Traditional Name: 3-nitro-N-[3-[3-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide Formula: C21H14F3N5O4S MolecularWeight: 489.42717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H14F3N5O4S/c22-21(23,24)13-5-3-6-14(11-13)25-19-20(27-18-10-2-1-9-17(18)26-19)28-34(32,33)16-8-4-7-15(12-16)29(30)31/h1-12H,(H,25,26)(H,27,28)