1-[2,3-bis(phenylcarbonylsulfanyl)propanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2,3-bis(phenylcarbonylsulfanyl)propanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2,3-bis(benzoylsulfanyl)propanoyl]piperidine-2-carboxylic acid CAS Name: 1-[2,3-bis(benzoylthio)-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2,3-bis(benzoylsulfanyl)propanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[2,3-bis(benzoylthio)propanoyl]pipecolinic acid Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C(CSC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO5S2/c25-20(24-14-8-7-13-18(24)21(26)27)19(31-23(29)17-11-5-2-6-12-17)15-30-22(28)16-9-3-1-4-10-16/h1-6,9-12,18-19H,7-8,13-15H2,(H,26,27)