2-(3-methylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-methylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 6-morpholinosulfonyl-2-(m-tolyl)quinoline-4-carboxylic acid CAS Name: 2-(3-methylphenyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methylphenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 6-morpholinosulfonyl-2-(m-tolyl)cinchoninic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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