N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]isoquinoline-5-sulfonamide Formula: C21H16F3N3O2S2 MolecularWeight: 463.49585

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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=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H16F3N3O2S2/c22-21(23,24)20-12-18(16-5-1-2-6-17(16)27-20)30-11-10-26-31(28,29)19-7-3-4-14-13-25-9-8-15(14)19/h1-9,12-13,26H,10-11H2