3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanoic acid Openeye Name: 3-(4-benzylsulfonylpiperazin-1-yl)propanoic acid CAS Name: 3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanoic acid IUPAC Name: 3-(4-benzylsulfonylpiperazin-1-yl)propanoic acid Traditional Name: 3-(4-benzylsulfonylpiperazino)propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCC(=O)O)S(=O)(=O)CC2=CC=CC=C2

InChI

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