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

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-iodanylbenzoate Openeye Name: [1-methyl-3-oxido-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [1-methyl-3-oxido-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [1-methyl-3-oxido-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C16H19IN4O5S2 MolecularWeight: 538.38033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19IN4O5S2/c1-3-8-28(24,25)16-19-18-15(27-16)21(23)10-20(2)9-13(21)26-14(22)11-4-6-12(17)7-5-11/h4-7,13H,3,8-10H2,1-2H3