2-azanyl-4-(4-methylphenyl)sulfonyl-5-(pyridin-3-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-4-(4-methylphenyl)sulfonyl-5-(pyridin-3-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-4-(p-tolylsulfonyl)-5-(3-pyridylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 2-amino-4-(4-methylphenyl)sulfonyl-5-(3-pyridinylmethyl)-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-4-(4-methylphenyl)sulfonyl-5-(pyridin-3-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 2-amino-5-(3-pyridylmethyl)-4-tosyl-7-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C24H18F3N3O4S MolecularWeight: 501.47763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC3=CC(=CC(=C32)CC4=CN=CC=C4)C(F)(F)F)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NC3=CC(=CC(=C32)CC4=CN=CC=C4)C(F)(F)F)N)C(=O)O

InChI

InChI=1S/C24H18F3N3O4S/c1-13-4-6-17(7-5-13)35(33,34)21-19-15(9-14-3-2-8-29-12-14)10-16(24(25,26)27)11-18(19)30-22(28)20(21)23(31)32/h2-8,10-12H,9H2,1H3,(H2,28,30)(H,31,32)