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

Systemtic Name: 1-[2-(phenylcarbonylsulfanyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanylethylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(benzoylthio)ethylsulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanylethylsulfonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)ethylsulfonyl]proline Formula: C14H17NO5S2 MolecularWeight: 343.41848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CCSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CCSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H17NO5S2/c16-13(17)12-7-4-8-15(12)22(19,20)10-9-21-14(18)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)