1-[2-(phenylcarbonylsulfanyl)ethylsulfonyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-(phenylcarbonylsulfanyl)ethylsulfonyl]piperidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanylethylsulfonyl)piperidine-2-carboxylic acid CAS Name: 1-[2-(benzoylthio)ethylsulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanylethylsulfonyl)piperidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)ethylsulfonyl]pipecolinic acid Formula: C15H19NO5S2 MolecularWeight: 357.44506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)S(=O)(=O)CCSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCN(C(C1)C(=O)O)S(=O)(=O)CCSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H19NO5S2/c17-14(18)13-8-4-5-9-16(13)23(20,21)11-10-22-15(19)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)