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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(7-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(7-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(7-methoxybenzofuran-2-yl)cinchoninic acid Formula: C25H24N2O6S MolecularWeight: 480.53286

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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)N5CCCCCC5)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCCCC5)C(=C3)C(=O)O

InChI

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