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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

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