[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3

InChI

InChI=1S/C19H22N2O6S2/c1-29(24,25)21-10-8-20(9-11-21)18(22)13-27-19(23)16-6-2-3-7-17(16)28-14-15-5-4-12-26-15/h2-7,12H,8-11,13-14H2,1H3