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

Systemtic Name: ethyl 4-[[4-(methylsulfamoyl)phenyl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(methylsulfamoyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[4-(methylsulfamoyl)anilino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(methylsulfamoyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[4-(methylsulfamoyl)anilino]-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H18F3N3O4S MolecularWeight: 453.43483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O4S/c1-3-30-19(27)16-11-25-17-10-12(20(21,22)23)4-9-15(17)18(16)26-13-5-7-14(8-6-13)31(28,29)24-2/h4-11,24H,3H2,1-2H3,(H,25,26)