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

Systemtic Name: methyl 3-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

COC(=O)CCSCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C17H21N3O5S2/c1-25-17(22)6-11-26-13-16(21)19-7-9-20(10-8-19)27(23,24)15-5-3-2-4-14(15)12-18/h2-5H,6-11,13H2,1H3