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

Systemtic Name: 2-(2,5-dimethoxyphenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethoxyphenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethoxyphenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethoxyphenyl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethoxyphenyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C22H22N2O6S/c1-29-14-5-8-21(30-2)18(11-14)20-13-17(22(25)26)16-12-15(6-7-19(16)23-20)31(27,28)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,25,26)