2-methyl-4-(4-methylimidazol-1-yl)-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-methyl-4-(4-methylimidazol-1-yl)-5-methylsulfonyl-benzoic acid Openeye Name: 2-methyl-4-(4-methylimidazol-1-yl)-5-methylsulfonyl-benzoic acid CAS Name: 2-methyl-4-(4-methyl-1-imidazolyl)-5-methylsulfonylbenzoic acid IUPAC Name: 2-methyl-4-(4-methylimidazol-1-yl)-5-methylsulfonylbenzoic acid Traditional Name: 5-mesyl-2-methyl-4-(4-methylimidazol-1-yl)benzoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2C=C(N=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)N2C=C(N=C2)C

InChI

InChI=1S/C13H14N2O4S/c1-8-4-11(15-6-9(2)14-7-15)12(20(3,18)19)5-10(8)13(16)17/h4-7H,1-3H3,(H,16,17)