4-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-2-(3-pyridinylmethylamino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-2-(3-pyridylmethylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C24H18F3N3O5S MolecularWeight: 517.47703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC3=C2C=CC(=C3)C(F)(F)F)NCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC3=C2C=CC(=C3)C(F)(F)F)NCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C24H18F3N3O5S/c1-35-16-5-7-17(8-6-16)36(33,34)21-18-9-4-15(24(25,26)27)11-19(18)30-22(20(21)23(31)32)29-13-14-3-2-10-28-12-14/h2-12H,13H2,1H3,(H,29,30)(H,31,32)