(2S)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: (2S)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)propionate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2O4S/c1-11(13(16)17)14-7-9-15(10-8-14)20(18,19)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)/t11-/m0/s1