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

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C14H17BrN2O5S MolecularWeight: 405.26418

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H17BrN2O5S/c1-23(20,21)17-8-6-16(7-9-17)13(18)10-22-14(19)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3