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

Systemtic Name: 1-(4-methylsulfonylphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-methylsulfonylphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 4-mercapto-1-(4-methylsulfonylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-methylsulfonylphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 4-mercapto-1-(4-mesylphenyl)sulfonyl-proline Formula: C12H15NO6S3 MolecularWeight: 365.4456

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)S

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)S

InChI

InChI=1S/C12H15NO6S3/c1-21(16,17)9-2-4-10(5-3-9)22(18,19)13-7-8(20)6-11(13)12(14)15/h2-5,8,11,20H,6-7H2,1H3,(H,14,15)