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

Systemtic Name: 2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Openeye Name: 2-(5,7-dichlorobenzofuran-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid CAS Name: 2-(5,7-dichloro-2-benzofuranyl)-6-(diethylsulfamoyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5,7-dichloro-1-benzofuran-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Traditional Name: 2-(5,7-dichlorobenzofuran-2-yl)-6-(diethylsulfamoyl)cinchoninic acid Formula: C22H18Cl2N2O5S MolecularWeight: 493.35972

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC(=CC(=C4O3)Cl)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC(=CC(=C4O3)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2O5S/c1-3-26(4-2)32(29,30)14-5-6-18-15(10-14)16(22(27)28)11-19(25-18)20-8-12-7-13(23)9-17(24)21(12)31-20/h5-11H,3-4H2,1-2H3,(H,27,28)