6-(1H-benzimidazol-2-ylsulfonylmethyl)-4-propan-2-yloxy-2-(trifluoromethyl)quinoline

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfonylmethyl)-4-propan-2-yloxy-2-(trifluoromethyl)quinoline Openeye Name: 6-(1H-benzimidazol-2-ylsulfonylmethyl)-4-isopropoxy-2-(trifluoromethyl)quinoline CAS Name: 6-(1H-benzimidazol-2-ylsulfonylmethyl)-4-propan-2-yloxy-2-(trifluoromethyl)quinoline IUPAC Name: 6-(1H-benzimidazol-2-ylsulfonylmethyl)-4-propan-2-yloxy-2-(trifluoromethyl)quinoline Traditional Name: 6-(1H-benzimidazol-2-ylsulfonylmethyl)-4-isopropoxy-2-(trifluoromethyl)quinoline Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=NC2=C1C=C(C=C2)CS(=O)(=O)C3=NC4=CC=CC=C4N3)C(F)(F)F

Isomeric SMILES

CC(C)OC1=CC(=NC2=C1C=C(C=C2)CS(=O)(=O)C3=NC4=CC=CC=C4N3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3S/c1-12(2)30-18-10-19(21(22,23)24)25-15-8-7-13(9-14(15)18)11-31(28,29)20-26-16-5-3-4-6-17(16)27-20/h3-10,12H,11H2,1-2H3,(H,26,27)