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

Systemtic Name: 3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-(4-besylpiperazino)-3-keto-propionic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)CC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O5S/c16-12(10-13(17)18)14-6-8-15(9-7-14)21(19,20)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18)