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

Systemtic Name: 2-(6-methoxy-1-benzofuran-2-yl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(6-methoxybenzofuran-2-yl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(6-methoxy-2-benzofuranyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(6-methoxy-1-benzofuran-2-yl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(6-methoxybenzofuran-2-yl)-6-piperidinosulfonyl-cinchoninic acid Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(O2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCCC5)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(O2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCCC5)C(=C3)C(=O)O

InChI

InChI=1S/C24H22N2O6S/c1-31-16-6-5-15-11-23(32-22(15)12-16)21-14-19(24(27)28)18-13-17(7-8-20(18)25-21)33(29,30)26-9-3-2-4-10-26/h5-8,11-14H,2-4,9-10H2,1H3,(H,27,28)