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

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]propanoic acid Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]propanoic acid CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]propanoic acid IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]propanoic acid Traditional Name: 2-(4-besylpiperazino)propionic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)N1CCN(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)