[2-(2-bromoethyl)-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylpyridine-2-carboxylate

Systemtic Name: [2-(2-bromoethyl)-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylpyridine-2-carboxylate Openeye Name: [2-(2-bromoethyl)-3-(5-methylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-bromopyridine-2-carboxylate CAS Name: 4-bromo-2-pyridinecarboxylic acid [2-(2-bromoethyl)-3-(5-methylsulfonyl-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [2-(2-bromoethyl)-3-(5-methylsulfonyl-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-bromopyridine-2-carboxylate Traditional Name: 4-bromopicolinic acid [2-(2-bromoethyl)-3-(5-mesylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H16Br2N4O5S2 MolecularWeight: 556.24934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(S1)[N+]2(C(CNC2CCBr)OC(=O)C3=NC=CC(=C3)Br)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CN=C(S1)[N+]2(C(CNC2CCBr)OC(=O)C3=NC=CC(=C3)Br)[O-]

InChI

InChI=1S/C15H16Br2N4O5S2/c1-28(24,25)13-8-20-15(27-13)21(23)11(2-4-16)19-7-12(21)26-14(22)10-6-9(17)3-5-18-10/h3,5-6,8,11-12,19H,2,4,7H2,1H3