[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6S/c1-12(19)17-7-9-18(10-8-17)15(20)11-24-16(21)13-3-5-14(6-4-13)25(2,22)23/h3-6H,7-11H2,1-2H3