2-(4-tert-butylphenyl)-6-(dimethylsulfamoyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-6-(dimethylsulfamoyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-(dimethylsulfamoyl)quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-(dimethylsulfamoyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-(dimethylsulfamoyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-(dimethylsulfamoyl)cinchoninic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N(C)C)C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N(C)C)C(=C2)C(=O)O

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)15-8-6-14(7-9-15)20-13-18(21(25)26)17-12-16(10-11-19(17)23-20)29(27,28)24(4)5/h6-13H,1-5H3,(H,25,26)