2-(1-benzothiophen-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Openeye Name: 2-(benzothiophen-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid CAS Name: 2-(1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-6-(diethylsulfamoyl)quinoline-4-carboxylic acid Traditional Name: 2-(benzothiophen-2-yl)-6-(diethylsulfamoyl)cinchoninic acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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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=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O4S2/c1-3-24(4-2)30(27,28)15-9-10-18-16(12-15)17(22(25)26)13-19(23-18)21-11-14-7-5-6-8-20(14)29-21/h5-13H,3-4H2,1-2H3,(H,25,26)