6-(azepan-1-ylsulfonyl)-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(5-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(5-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(5-methoxybenzofuran-2-yl)cinchoninic acid Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCCCC5)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCCCC5)C(=C3)C(=O)O

InChI

InChI=1S/C25H24N2O6S/c1-32-17-6-9-23-16(12-17)13-24(33-23)22-15-20(25(28)29)19-14-18(7-8-21(19)26-22)34(30,31)27-10-4-2-3-5-11-27/h6-9,12-15H,2-5,10-11H2,1H3,(H,28,29)