4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-[p-tolylsulfonyl(3-pyridylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-[(4-methylphenyl)sulfonyl-(3-pyridinylmethyl)amino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-[3-pyridylmethyl(tosyl)amino]-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)N(CC2=CN=CC=C2)C3=C4C=CC(=CC4=NC=C3C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3=C4C=CC(=CC4=NC=C3C(=O)O)C(F)(F)F

InChI

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