4-[[2-[tris(bromanyl)methylsulfonyl]quinolin-5-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[2-[tris(bromanyl)methylsulfonyl]quinolin-5-yl]carbonylamino]butanoic acid Openeye Name: 4-[[2-(tribromomethylsulfonyl)quinoline-5-carbonyl]amino]butanoic acid CAS Name: 4-[[oxo-[2-(tribromomethylsulfonyl)-5-quinolinyl]methyl]amino]butanoic acid IUPAC Name: 4-[[2-(tribromomethylsulfonyl)quinoline-5-carbonyl]amino]butanoic acid Traditional Name: 4-[[2-(tribromomethylsulfonyl)quinoline-5-carbonyl]amino]butyric acid Formula: C15H13Br3N2O5S MolecularWeight: 573.05112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC(=NC2=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=C2C=CC(=NC2=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NCCCC(=O)O

InChI

InChI=1S/C15H13Br3N2O5S/c16-15(17,18)26(24,25)12-7-6-9-10(3-1-4-11(9)20-12)14(23)19-8-2-5-13(21)22/h1,3-4,6-7H,2,5,8H2,(H,19,23)(H,21,22)