[3-(5-hexylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-fluoranylphenoxy)propanoate

Systemtic Name: [3-(5-hexylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-fluoranylphenoxy)propanoate Openeye Name: [3-(5-hexylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-fluorophenoxy)propanoate CAS Name: 2-(4-fluorophenoxy)propanoic acid [3-(5-hexylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2-(4-fluorophenoxy)propanoate Traditional Name: 2-(4-fluorophenoxy)propionic acid [3-(5-hexylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C21H29FN4O6S2 MolecularWeight: 516.606563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=C(C=C3)F)C)[O-]

Isomeric SMILES

CCCCCCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C(C)OC3=CC=C(C=C3)F)C)[O-]

InChI

InChI=1S/C21H29FN4O6S2/c1-4-5-6-7-12-34(29,30)21-24-23-20(33-21)26(28)14-25(3)13-18(26)32-19(27)15(2)31-17-10-8-16(22)9-11-17/h8-11,15,18H,4-7,12-14H2,1-3H3