1-(3-methylphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-methylphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(m-tolylsulfonyl)-4-sulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 4-mercapto-1-(3-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-methylphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 4-mercapto-1-(m-tolylsulfonyl)proline Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC(CC2C(=O)O)S

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC(CC2C(=O)O)S

InChI

InChI=1S/C12H15NO4S2/c1-8-3-2-4-10(5-8)19(16,17)13-7-9(18)6-11(13)12(14)15/h2-5,9,11,18H,6-7H2,1H3,(H,14,15)