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

Systemtic Name: 4-(4-bromophenyl)sulfonyl-2-(pyridin-3-ylmethylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)sulfonyl-2-(3-pyridylmethylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-(4-bromophenyl)sulfonyl-2-(3-pyridinylmethylamino)-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-(4-bromophenyl)sulfonyl-2-(pyridin-3-ylmethylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-brosyl-2-(3-pyridylmethylamino)-7-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C23H15BrF3N3O4S MolecularWeight: 566.34711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=C2C(=O)O)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)C(=C2C(=O)O)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H15BrF3N3O4S/c24-15-4-6-16(7-5-15)35(33,34)20-17-8-3-14(23(25,26)27)10-18(17)30-21(19(20)22(31)32)29-12-13-2-1-9-28-11-13/h1-11H,12H2,(H,29,30)(H,31,32)