1-phenethylsulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-phenethylsulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-phenethylsulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 4-mercapto-1-phenethylsulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-phenethylsulfonyl-4-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 4-mercapto-1-phenethylsulfonyl-proline Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)CCC2=CC=CC=C2)S

Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)CCC2=CC=CC=C2)S

InChI

InChI=1S/C13H17NO4S2/c15-13(16)12-8-11(19)9-14(12)20(17,18)7-6-10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H,15,16)