6-(azepan-1-ylsulfonyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-(2,5-dimethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-(2,5-dimethoxyphenyl)cinchoninic acid Formula: C24H26N2O6S MolecularWeight: 470.53804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C24H26N2O6S/c1-31-16-7-10-23(32-2)20(13-16)22-15-19(24(27)28)18-14-17(8-9-21(18)25-22)33(29,30)26-11-5-3-4-6-12-26/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,28)