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

Systemtic Name: 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-(diethylsulfamoyl)-2-(7-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-(diethylsulfamoyl)-2-(7-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(diethylsulfamoyl)-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-(diethylsulfamoyl)-2-(7-methoxybenzofuran-2-yl)cinchoninic acid Formula: C23H22N2O6S MolecularWeight: 454.49558

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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)OC

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)OC

InChI

InChI=1S/C23H22N2O6S/c1-4-25(5-2)32(28,29)15-9-10-18-16(12-15)17(23(26)27)13-19(24-18)21-11-14-7-6-8-20(30-3)22(14)31-21/h6-13H,4-5H2,1-3H3,(H,26,27)