1-(phenylmethyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzylsulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 4-mercapto-1-(phenylmethyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-benzylsulfonyl-4-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-benzylsulfonyl-4-mercapto-proline Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)S(=O)(=O)CC2=CC=CC=C2)S

Isomeric SMILES

C1C(CN(C1C(=O)O)S(=O)(=O)CC2=CC=CC=C2)S

InChI

InChI=1S/C12H15NO4S2/c14-12(15)11-6-10(18)7-13(11)19(16,17)8-9-4-2-1-3-5-9/h1-5,10-11,18H,6-8H2,(H,14,15)