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

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-6-piperidinosulfonyl-cinchoninic acid Formula: C23H19BrN2O5S MolecularWeight: 515.37636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=C(O4)C=CC(=C5)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C23H19BrN2O5S/c24-15-4-7-21-14(10-15)11-22(31-21)20-13-18(23(27)28)17-12-16(5-6-19(17)25-20)32(29,30)26-8-2-1-3-9-26/h4-7,10-13H,1-3,8-9H2,(H,27,28)