2-(5-fluoranyl-2-methoxy-phenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-fluoranyl-2-methoxy-phenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-fluoro-2-methoxy-phenyl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(5-fluoro-2-methoxyphenyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5-fluoro-2-methoxyphenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5-fluoro-2-methoxy-phenyl)-6-morpholinosulfonyl-cinchoninic acid Formula: C21H19FN2O6S MolecularWeight: 446.448763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O

InChI

InChI=1S/C21H19FN2O6S/c1-29-20-5-2-13(22)10-17(20)19-12-16(21(25)26)15-11-14(3-4-18(15)23-19)31(27,28)24-6-8-30-9-7-24/h2-5,10-12H,6-9H2,1H3,(H,25,26)