3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanoic acid; ethanedioic acid

Systemtic Name: 3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanoic acid; ethanedioic acid Openeye Name: 3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanoic acid; oxalic acid CAS Name: 3-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]propanoic acid; oxalic acid IUPAC Name: 3-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanoic acid; oxalic acid Traditional Name: 3-[4-(3-chlorophenyl)sulfonylpiperazino]propionic acid; oxalic acid Formula: C15H19ClN2O8S MolecularWeight: 422.83796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCC(=O)O)S(=O)(=O)C2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17ClN2O4S.C2H2O4/c14-11-2-1-3-12(10-11)21(19,20)16-8-6-15(7-9-16)5-4-13(17)18;3-1(4)2(5)6/h1-3,10H,4-9H2,(H,17,18);(H,3,4)(H,5,6)