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

Systemtic Name: 7-chloranyl-8-methyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]quinoline-3-carboxylic acid Openeye Name: 7-chloro-8-methyl-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]quinoline-3-carboxylic acid CAS Name: 7-chloro-8-methyl-4-[4-(2-pyrimidinylsulfamoyl)anilino]-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-8-methyl-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]quinoline-3-carboxylic acid Traditional Name: 7-chloro-8-methyl-4-[4-(2-pyrimidylsulfamoyl)anilino]quinoline-3-carboxylic acid Formula: C21H16ClN5O4S MolecularWeight: 469.90084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C(C(=CN=C12)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

Isomeric SMILES

CC1=C(C=CC2=C(C(=CN=C12)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

InChI

InChI=1S/C21H16ClN5O4S/c1-12-17(22)8-7-15-18(12)25-11-16(20(28)29)19(15)26-13-3-5-14(6-4-13)32(30,31)27-21-23-9-2-10-24-21/h2-11H,1H3,(H,25,26)(H,28,29)(H,23,24,27)