[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3

InChI

InChI=1S/C17H21N5O6S/c1-29(25,26)22-10-8-21(9-11-22)15(23)12-27-16(24)6-5-14-19-17(20-28-14)13-4-2-3-7-18-13/h2-4,7H,5-6,8-12H2,1H3