ethyl 4-[[4-(dimethylsulfamoyl)phenyl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[[4-(dimethylsulfamoyl)phenyl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(dimethylsulfamoyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(dimethylsulfamoyl)anilino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(dimethylsulfamoyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[4-(dimethylsulfamoyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H20F3N3O4S MolecularWeight: 467.46141

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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)N(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)N(C)C)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O4S/c1-4-31-20(28)17-12-25-18-11-13(21(22,23)24)5-10-16(18)19(17)26-14-6-8-15(9-7-14)32(29,30)27(2)3/h5-12H,4H2,1-3H3,(H,25,26)