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

Systemtic Name: methyl 3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[4-(4-methoxyphenyl)sulfonylpiperazino]ethyl]thio]propionic acid methyl ester Formula: C17H24N2O6S2 MolecularWeight: 416.51226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC(=O)OC

InChI

InChI=1S/C17H24N2O6S2/c1-24-14-3-5-15(6-4-14)27(22,23)19-10-8-18(9-11-19)16(20)13-26-12-7-17(21)25-2/h3-6H,7-13H2,1-2H3