6-(azepan-1-ylsulfonyl)-2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(5,7-dichlorobenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(5,7-dichloro-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(5,7-dichloro-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(5,7-dichlorobenzofuran-2-yl)cinchoninic acid Formula: C24H20Cl2N2O5S MolecularWeight: 519.397

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC(=CC(=C5O4)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC(=CC(=C5O4)Cl)Cl

InChI

InChI=1S/C24H20Cl2N2O5S/c25-15-9-14-10-22(33-23(14)19(26)11-15)21-13-18(24(29)30)17-12-16(5-6-20(17)27-21)34(31,32)28-7-3-1-2-4-8-28/h5-6,9-13H,1-4,7-8H2,(H,29,30)