2-(3-chloranyl-4-methoxy-phenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-chloranyl-4-methoxy-phenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-chloro-4-methoxy-phenyl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(3-chloro-4-methoxyphenyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-chloro-4-methoxyphenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(3-chloro-4-methoxy-phenyl)-6-morpholinosulfonyl-cinchoninic acid Formula: C21H19ClN2O6S MolecularWeight: 462.90336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O6S/c1-29-20-5-2-13(10-17(20)22)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)