4-imidazol-1-yl-2,3-dimethyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-imidazol-1-yl-2,3-dimethyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-imidazol-1-yl-2,3-dimethyl-5-methylsulfonyl-benzoic acid CAS Name: 4-(1-imidazolyl)-2,3-dimethyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-imidazol-1-yl-2,3-dimethyl-5-methylsulfonylbenzoic acid Traditional Name: 4-imidazol-1-yl-5-mesyl-2,3-dimethyl-benzoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)O)S(=O)(=O)C)N2C=CN=C2)C

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)S(=O)(=O)C)N2C=CN=C2)C

InChI

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