2-(7-methoxy-1-benzofuran-2-yl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(7-methoxy-1-benzofuran-2-yl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(7-methoxybenzofuran-2-yl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(7-methoxy-2-benzofuranyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(7-methoxy-1-benzofuran-2-yl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(7-methoxybenzofuran-2-yl)-6-piperidinosulfonyl-cinchoninic acid Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCCC5)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCCC5)C(=C3)C(=O)O

InChI

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