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

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]acetic acid Traditional Name: 2-(4-besylpiperazino)acetic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H16N2O4S/c15-12(16)10-13-6-8-14(9-7-13)19(17,18)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16)