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

Systemtic Name: 2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(5,7-dichlorobenzofuran-2-yl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(5,7-dichloro-2-benzofuranyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(5,7-dichloro-1-benzofuran-2-yl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(5,7-dichlorobenzofuran-2-yl)-6-piperidinosulfonyl-cinchoninic acid Formula: C23H18Cl2N2O5S MolecularWeight: 505.37042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC(=CC(=C5O4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC5=CC(=CC(=C5O4)Cl)Cl

InChI

InChI=1S/C23H18Cl2N2O5S/c24-14-8-13-9-21(32-22(13)18(25)10-14)20-12-17(23(28)29)16-11-15(4-5-19(16)26-20)33(30,31)27-6-2-1-3-7-27/h4-5,8-12H,1-3,6-7H2,(H,28,29)