3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]propionic acid Formula: C10H18N2O5S2 MolecularWeight: 310.39032

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSCCC(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSCCC(=O)O

InChI

InChI=1S/C10H18N2O5S2/c1-19(16,17)12-5-3-11(4-6-12)9(13)8-18-7-2-10(14)15/h2-8H2,1H3,(H,14,15)