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

Systemtic Name: methyl 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C16H21ClN2O5S2 MolecularWeight: 420.93134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5S2/c1-24-16(21)6-11-25-12-15(20)18-7-9-19(10-8-18)26(22,23)14-4-2-13(17)3-5-14/h2-5H,6-12H2,1H3