3-methylsulfonyl-5-(2-oxidanylidenepyrrolidin-1-yl)benzoic acid

Systemtic Name: 3-methylsulfonyl-5-(2-oxidanylidenepyrrolidin-1-yl)benzoic acid Openeye Name: 3-methylsulfonyl-5-(2-oxopyrrolidin-1-yl)benzoic acid CAS Name: 3-methylsulfonyl-5-(2-oxo-1-pyrrolidinyl)benzoic acid IUPAC Name: 3-methylsulfonyl-5-(2-oxopyrrolidin-1-yl)benzoic acid Traditional Name: 3-(2-ketopyrrolidino)-5-mesyl-benzoic acid Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)N2CCCC2=O)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)N2CCCC2=O)C(=O)O

InChI

InChI=1S/C12H13NO5S/c1-19(17,18)10-6-8(12(15)16)5-9(7-10)13-4-2-3-11(13)14/h5-7H,2-4H2,1H3,(H,15,16)