4-bromanyl-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 4-bromanyl-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-[2-(1-imidazolyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-bromo-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(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=C1C(=O)O)S(=O)(=O)CCN2C=CN=C2)Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CCN2C=CN=C2)Br

InChI

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