2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)acetic acid CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)acetic acid Traditional Name: 2-(4-benzylsulfonylpiperazino)acetic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CC(=O)O)S(=O)(=O)CC2=CC=CC=C2

InChI

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