6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-methylsulfonyloxyethyl)quinoline-1-carboxylic acid

Systemtic Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-methylsulfonyloxyethyl)quinoline-1-carboxylic acid Openeye Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-methylsulfonyloxyethyl)quinoline-1-carboxylic acid CAS Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-methylsulfonyloxyethyl)-1-quinolinecarboxylic acid IUPAC Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-methylsulfonyloxyethyl)quinoline-1-carboxylic acid Traditional Name: 6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-methylsulfonyloxyethyl)quinoline-1-carboxylic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(N(C2=C1C=C(C=C2)C3=CC=CC=C3OC)C(=O)O)(C)C)OS(=O)(=O)C

Isomeric SMILES

CC(C1=CC(N(C2=C1C=C(C=C2)C3=CC=CC=C3OC)C(=O)O)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C22H25NO6S/c1-14(29-30(5,26)27)18-13-22(2,3)23(21(24)25)19-11-10-15(12-17(18)19)16-8-6-7-9-20(16)28-4/h6-14H,1-5H3,(H,24,25)