ethyl 7-chloranyl-8-methyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-8-methyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-8-methyl-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]quinoline-3-carboxylate CAS Name: 7-chloro-8-methyl-4-[4-(2-pyrimidinylsulfamoyl)anilino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-8-methyl-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]quinoline-3-carboxylate Traditional Name: 7-chloro-8-methyl-4-[4-(2-pyrimidylsulfamoyl)anilino]quinoline-3-carboxylic acid ethyl ester Formula: C23H20ClN5O4S MolecularWeight: 497.954

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)NC4=NC=CC=N4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN5O4S/c1-3-33-22(30)18-13-27-20-14(2)19(24)10-9-17(20)21(18)28-15-5-7-16(8-6-15)34(31,32)29-23-25-11-4-12-26-23/h4-13H,3H2,1-2H3,(H,27,28)(H,25,26,29)