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

Systemtic Name: 2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-(4-besylpiperazino)-2-keto-acetic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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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)