2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5,7-dichlorobenzofuran-2-yl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(5,7-dichloro-2-benzofuranyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5,7-dichloro-1-benzofuran-2-yl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5,7-dichlorobenzofuran-2-yl)-6-morpholinosulfonyl-cinchoninic acid Formula: C22H16Cl2N2O6S MolecularWeight: 507.34324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC(=CC(=C5O4)Cl)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC(=CC(=C5O4)Cl)Cl

InChI

InChI=1S/C22H16Cl2N2O6S/c23-13-7-12-8-20(32-21(12)17(24)9-13)19-11-16(22(27)28)15-10-14(1-2-18(15)25-19)33(29,30)26-3-5-31-6-4-26/h1-2,7-11H,3-6H2,(H,27,28)