2-(2-methylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2-methylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 6-morpholinosulfonyl-2-(o-tolyl)quinoline-4-carboxylic acid CAS Name: 2-(2-methylphenyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2-methylphenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 6-morpholinosulfonyl-2-(o-tolyl)cinchoninic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)C(=C2)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c1-14-4-2-3-5-16(14)20-13-18(21(24)25)17-12-15(6-7-19(17)22-20)29(26,27)23-8-10-28-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,24,25)