2-(5-methoxy-1-benzofuran-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-methoxy-1-benzofuran-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-methoxybenzofuran-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(5-methoxy-2-benzofuranyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-methoxy-1-benzofuran-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5-methoxybenzofuran-2-yl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)C(=C3)C(=O)O

InChI

InChI=1S/C23H20N2O6S/c1-30-15-4-7-21-14(10-15)11-22(31-21)20-13-18(23(26)27)17-12-16(5-6-19(17)24-20)32(28,29)25-8-2-3-9-25/h4-7,10-13H,2-3,8-9H2,1H3,(H,26,27)