ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(pyrimidin-2-ylsulfamoyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(2-pyrimidinylsulfamoyl)anilino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(pyrimidin-2-ylsulfamoyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[4-(2-pyrimidylsulfamoyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C23H18F3N5O4S MolecularWeight: 517.48033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)C(F)(F)F

InChI

InChI=1S/C23H18F3N5O4S/c1-2-35-21(32)18-13-29-19-12-14(23(24,25)26)4-9-17(19)20(18)30-15-5-7-16(8-6-15)36(33,34)31-22-27-10-3-11-28-22/h3-13H,2H2,1H3,(H,29,30)(H,27,28,31)