[3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylbenzoate

Systemtic Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylbenzoate Openeye Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(5-esyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H17BrN4O5S2 MolecularWeight: 477.35328

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=C(C=C3)Br)C)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=C(C=C3)Br)C)[O-]

InChI

InChI=1S/C15H17BrN4O5S2/c1-3-27(23,24)15-18-17-14(26-15)20(22)9-19(2)8-12(20)25-13(21)10-4-6-11(16)7-5-10/h4-7,12H,3,8-9H2,1-2H3