4-chloranyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Formula: C19H17ClN4O6S2 MolecularWeight: 496.94448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl)C

InChI

InChI=1S/C19H17ClN4O6S2/c1-11-9-12(2)22-19(21-11)24-31(27,28)15-6-4-14(5-7-15)23-32(29,30)17-10-13(18(25)26)3-8-16(17)20/h3-10,23H,1-2H3,(H,25,26)(H,21,22,24)