2-(2,4-dimethylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2,4-dimethylphenyl)-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,4-dimethylphenyl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(2,4-dimethylphenyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,4-dimethylphenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(2,4-dimethylphenyl)-6-morpholinosulfonyl-cinchoninic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-14-3-5-17(15(2)11-14)21-13-19(22(25)26)18-12-16(4-6-20(18)23-21)30(27,28)24-7-9-29-10-8-24/h3-6,11-13H,7-10H2,1-2H3,(H,25,26)