2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoate

Systemtic Name: 2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoate Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-acetate CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoacetate IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoacetate Traditional Name: 2-(4-besylpiperazino)-2-keto-acetate Formula: C12H13N2O5S- MolecularWeight: 297.30702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)C(=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O5S/c15-11(12(16)17)13-6-8-14(9-7-13)20(18,19)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)/p-1