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

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O5S2/c1-3-24-14-7-5-4-6-13(14)16(20)23-12-15(19)17-8-10-18(11-9-17)25(2,21)22/h4-7H,3,8-12H2,1-2H3