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

Systemtic Name: 4-[(4-bromophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-[(4-bromophenyl)sulfonyl-(3-pyridylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-[(4-bromophenyl)sulfonyl-(3-pyridinylmethyl)amino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-bromophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-[brosyl(3-pyridylmethyl)amino]-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)CN(C2=C3C=CC(=CC3=NC=C2C(=O)O)C(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CN=C1)CN(C2=C3C=CC(=CC3=NC=C2C(=O)O)C(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

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