3-[4-(phenylsulfonyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(phenylsulfonyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-(4-besylpiperazino)propionic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2O4S/c16-13(17)6-7-14-8-10-15(11-9-14)20(18,19)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)