2-[2-oxidanylidene-4-(phenylmethyl)sulfonyl-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-4-(phenylmethyl)sulfonyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-benzylsulfonyl-2-oxo-piperazin-1-yl)acetic acid CAS Name: 2-[2-oxo-4-(phenylmethyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzylsulfonyl-2-oxopiperazin-1-yl)acetic acid Traditional Name: 2-(4-benzylsulfonyl-2-keto-piperazino)acetic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C13H16N2O5S/c16-12-8-15(7-6-14(12)9-13(17)18)21(19,20)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18)