N-quinolin-3-yl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-quinolin-3-yl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-(3-quinolyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-(3-quinolinyl)-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-quinolin-3-yl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-(3-quinolyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=CC=CC=C4N=C3)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=CC4=CC=CC=C4N=C3)C(=O)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O3S/c21-20(22,23)19(27)26-8-7-13-5-6-17(10-15(13)12-26)30(28,29)25-16-9-14-3-1-2-4-18(14)24-11-16/h1-6,9-11,25H,7-8,12H2