2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethanoate

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethanoate Openeye Name: 2-(4-benzylpiperazin-1-yl)sulfonylacetate CAS Name: 2-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]acetate IUPAC Name: 2-(4-benzylpiperazin-1-yl)sulfonylacetate Traditional Name: 2-(4-benzylpiperazino)sulfonylacetate Formula: C13H17N2O4S- MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CC(=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CC(=O)[O-]

InChI

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