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

Systemtic Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-hexoxyphenoxy)propanoate Openeye Name: [3-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-hexoxyphenoxy)propanoate CAS Name: 2-(4-hexoxyphenoxy)propanoic 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] 2-(4-hexoxyphenoxy)propanoate Traditional Name: 2-(4-hexoxyphenoxy)propionic acid [3-(5-esyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C23H34N4O7S2 MolecularWeight: 542.66866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(C)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)S(=O)(=O)CC)[O-])C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(C)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)S(=O)(=O)CC)[O-])C

InChI

InChI=1S/C23H34N4O7S2/c1-5-7-8-9-14-32-18-10-12-19(13-11-18)33-17(3)21(28)34-20-15-26(4)16-27(20,29)22-24-25-23(35-22)36(30,31)6-2/h10-13,17,20H,5-9,14-16H2,1-4H3