[3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] cyclohexanecarboxylate

Systemtic Name: [3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] cyclohexanecarboxylate Openeye Name: [1-allyl-3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-enylimidazolidin-3-ium-4-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [1-allyl-3-(5-mesyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H24N4O5S2 MolecularWeight: 416.51556

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3CCCCC3)CC=C)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3CCCCC3)CC=C)[O-]

InChI

InChI=1S/C16H24N4O5S2/c1-3-9-19-10-13(25-14(21)12-7-5-4-6-8-12)20(22,11-19)15-17-18-16(26-15)27(2,23)24/h3,12-13H,1,4-11H2,2H3