4-imidazol-1-yl-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-imidazol-1-yl-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-imidazol-1-yl-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-(1-imidazolyl)-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-imidazol-1-yl-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-imidazol-1-yl-5-mesyl-2-methyl-benzoic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c1-8-5-10(14-4-3-13-7-14)11(19(2,17)18)6-9(8)12(15)16/h3-7H,1-2H3,(H,15,16)