3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpropanoic acid

Systemtic Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpropanoic acid Openeye Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpropanoic acid CAS Name: 3-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]propanoic acid IUPAC Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylpropanoic acid Traditional Name: 3-[4-(4-chlorophenyl)piperazino]sulfonylpropionic acid Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)CCC(=O)O

InChI

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