methyl 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]propionic acid methyl ester Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC(=O)OC

InChI

InChI=1S/C17H24N2O5S2/c1-14-3-5-15(6-4-14)26(22,23)19-10-8-18(9-11-19)16(20)13-25-12-7-17(21)24-2/h3-6H,7-13H2,1-2H3