6-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(2,4-dimethylphenyl)cinchoninic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O)C

InChI

InChI=1S/C24H26N2O4S/c1-16-7-9-19(17(2)13-16)23-15-21(24(27)28)20-14-18(8-10-22(20)25-23)31(29,30)26-11-5-3-4-6-12-26/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,28)