2-nitro-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Openeye Name: 2-nitro-N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]benzenesulfonamide CAS Name: 2-nitro-N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]benzenesulfonamide Traditional Name: 2-nitro-N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]benzenesulfonamide Formula: C18H14F3N3O4S2 MolecularWeight: 457.44667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O4S2/c19-18(20,21)17-11-15(12-5-1-2-6-13(12)23-17)29-10-9-22-30(27,28)16-8-4-3-7-14(16)24(25)26/h1-8,11,22H,9-10H2