3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylpropanoate

Systemtic Name: 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylpropanoate Openeye Name: 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylpropanoate CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazinyl]sulfonyl]propanoate IUPAC Name: 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylpropanoate Traditional Name: 3-[4-(2-chlorophenyl)piperazino]sulfonylpropionate Formula: C13H16ClN2O4S- MolecularWeight: 331.79514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)S(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)S(=O)(=O)CCC(=O)[O-]

InChI

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