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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylpropanoic acid Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonylpropanoic acid CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]propanoic acid IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonylpropanoic acid Traditional Name: 3-(4-benzylpiperazino)sulfonylpropionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C14H20N2O4S/c17-14(18)6-11-21(19,20)16-9-7-15(8-10-16)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,18)