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

Systemtic Name: methyl 3-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]thio]propionic acid methyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)N1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSCC(=O)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H24N2O5S2/c1-25-18(22)7-13-26-15-17(21)19-9-11-20(12-10-19)27(23,24)14-8-16-5-3-2-4-6-16/h2-6,8,14H,7,9-13,15H2,1H3/b14-8+