2-(5-chloranyl-1-benzofuran-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(5-chloranyl-1-benzofuran-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Openeye Name: 2-(5-chlorobenzofuran-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid CAS Name: 2-(5-chloro-2-benzofuranyl)-6-(diethylsulfamoyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-chloro-1-benzofuran-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Traditional Name: 2-(5-chlorobenzofuran-2-yl)-6-(diethylsulfamoyl)cinchoninic acid Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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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=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H19ClN2O5S/c1-3-25(4-2)31(28,29)15-6-7-18-16(11-15)17(22(26)27)12-19(24-18)21-10-13-9-14(23)5-8-20(13)30-21/h5-12H,3-4H2,1-2H3,(H,26,27)