3-(3-methylsulfonylphenyl)carbonyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(3-methylsulfonylphenyl)carbonyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(3-methylsulfonylbenzoyl)thiazolidine-4-carboxylic acid CAS Name: 3-[(3-methylsulfonylphenyl)-oxomethyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(3-mesylbenzoyl)thiazolidine-4-carboxylic acid Formula: C12H13NO5S2 MolecularWeight: 315.36532

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CSCC2C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CSCC2C(=O)O

InChI

InChI=1S/C12H13NO5S2/c1-20(17,18)9-4-2-3-8(5-9)11(14)13-7-19-6-10(13)12(15)16/h2-5,10H,6-7H2,1H3,(H,15,16)