2-(2-methoxyphenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2-methoxyphenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(2-methoxyphenyl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(2-methoxyphenyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2-methoxyphenyl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(2-methoxyphenyl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c1-28-20-7-3-2-6-15(20)19-13-17(21(24)25)16-12-14(8-9-18(16)22-19)29(26,27)23-10-4-5-11-23/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,24,25)