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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)N1CCN(CC1)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)O)SCC(=O)N1CCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C10H18N2O5S2/c1-8(10(14)15)18-7-9(13)11-3-5-12(6-4-11)19(2,16)17/h8H,3-7H2,1-2H3,(H,14,15)