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

Systemtic Name: 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]sulfamoyl]benzoic acid Formula: C19H18N4O6S2 MolecularWeight: 462.49942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O6S2/c1-12-10-13(2)21-19(20-12)23-30(26,27)16-8-6-15(7-9-16)22-31(28,29)17-5-3-4-14(11-17)18(24)25/h3-11,22H,1-2H3,(H,24,25)(H,20,21,23)