2-(7-methoxy-1-benzofuran-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(7-methoxy-1-benzofuran-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(7-methoxybenzofuran-2-yl)-6-pyrrolidin-1-ylsulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(7-methoxy-2-benzofuranyl)-6-(1-pyrrolidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(7-methoxy-1-benzofuran-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(7-methoxybenzofuran-2-yl)-6-pyrrolidinosulfonyl-cinchoninic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)C(=C3)C(=O)O

InChI

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