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

Systemtic Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C20H18N4O5S/c1-12-11-13(2)22-20(21-12)24-30(28,29)15-9-7-14(8-10-15)23-18(25)16-5-3-4-6-17(16)19(26)27/h3-11H,1-2H3,(H,23,25)(H,26,27)(H,21,22,24)