2-[2,5-bis(chloranyl)phenyl]-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dichlorophenyl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dichlorophenyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dichlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dichlorophenyl)-6-morpholinosulfonyl-cinchoninic acid Formula: C20H16Cl2N2O5S MolecularWeight: 467.32244

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=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O5S/c21-12-1-3-17(22)16(9-12)19-11-15(20(25)26)14-10-13(2-4-18(14)23-19)30(27,28)24-5-7-29-8-6-24/h1-4,9-11H,5-8H2,(H,25,26)