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

Systemtic Name: 2-(7-methoxy-1-benzofuran-2-yl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(7-methoxybenzofuran-2-yl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(7-methoxy-2-benzofuranyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(7-methoxy-1-benzofuran-2-yl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(7-methoxybenzofuran-2-yl)-6-morpholinosulfonyl-cinchoninic acid Formula: C23H20N2O7S MolecularWeight: 468.4791

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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)N5CCOCC5)C(=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)C(=C3)C(=O)O

InChI

InChI=1S/C23H20N2O7S/c1-30-20-4-2-3-14-11-21(32-22(14)20)19-13-17(23(26)27)16-12-15(5-6-18(16)24-19)33(28,29)25-7-9-31-10-8-25/h2-6,11-13H,7-10H2,1H3,(H,26,27)