4-imidazol-1-yl-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-imidazol-1-yl-3-methylsulfonyl-benzoic acid Openeye Name: 4-imidazol-1-yl-3-methylsulfonyl-benzoic acid CAS Name: 4-(1-imidazolyl)-3-methylsulfonylbenzoic acid IUPAC Name: 4-imidazol-1-yl-3-methylsulfonylbenzoic acid Traditional Name: 4-imidazol-1-yl-3-mesyl-benzoic acid Formula: C11H10N2O4S MolecularWeight: 266.2731

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2C=CN=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2C=CN=C2

InChI

InChI=1S/C11H10N2O4S/c1-18(16,17)10-6-8(11(14)15)2-3-9(10)13-5-4-12-7-13/h2-7H,1H3,(H,14,15)