2-acetyloxy-5-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl]benzoic acid

Systemtic Name: 2-acetyloxy-5-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl]benzoic acid Openeye Name: 2-acetoxy-5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]azo-benzoic acid CAS Name: 2-acetyloxy-5-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]azobenzoic acid IUPAC Name: 2-acetyloxy-5-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl]benzoic acid Traditional Name: 2-acetoxy-5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]azo-benzoic acid Formula: C21H19N5O6S MolecularWeight: 469.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)OC(=O)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)OC(=O)C)C(=O)O)C

InChI

InChI=1S/C21H19N5O6S/c1-12-10-13(2)23-21(22-12)26-33(30,31)17-7-4-15(5-8-17)24-25-16-6-9-19(32-14(3)27)18(11-16)20(28)29/h4-11H,1-3H3,(H,28,29)(H,22,23,26)