[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C18H24N2O6S2 MolecularWeight: 428.52296

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H24N2O6S2/c1-27-15-5-3-14(4-6-15)16(21)7-8-18(23)26-13-17(22)19-9-11-20(12-10-19)28(2,24)25/h3-6H,7-13H2,1-2H3