2-(5-bromanyl-1-benzofuran-2-yl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-6-morpholinosulfonyl-cinchoninic acid Formula: C22H17BrN2O6S MolecularWeight: 517.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=C(O4)C=CC(=C5)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C22H17BrN2O6S/c23-14-1-4-20-13(9-14)10-21(31-20)19-12-17(22(26)27)16-11-15(2-3-18(16)24-19)32(28,29)25-5-7-30-8-6-25/h1-4,9-12H,5-8H2,(H,26,27)