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

Systemtic Name: 2-(4-methoxy-3-methyl-phenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxy-3-methyl-phenyl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(4-methoxy-3-methylphenyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methoxy-3-methylphenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(4-methoxy-3-methyl-phenyl)-6-morpholinosulfonyl-cinchoninic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O)OC

InChI

InChI=1S/C22H22N2O6S/c1-14-11-15(3-6-21(14)29-2)20-13-18(22(25)26)17-12-16(4-5-19(17)23-20)31(27,28)24-7-9-30-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,25,26)