2-bromanyl-5-(2-imidazol-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(2-imidazol-1-ylethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(2-imidazol-1-ylethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-[2-(1-imidazolyl)ethylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(2-imidazol-1-ylethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(2-imidazol-1-ylethylsulfonyl)benzoic acid Formula: C12H11BrN2O4S MolecularWeight: 359.19574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCN2C=CN=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCN2C=CN=C2)C(=O)O)Br

InChI

InChI=1S/C12H11BrN2O4S/c13-11-2-1-9(7-10(11)12(16)17)20(18,19)6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H,16,17)