3-methylsulfonyl-2-pyrrolidin-3-yl-benzoic acid

Systemtic Name: 3-methylsulfonyl-2-pyrrolidin-3-yl-benzoic acid Openeye Name: 3-methylsulfonyl-2-pyrrolidin-3-yl-benzoic acid CAS Name: 3-methylsulfonyl-2-(3-pyrrolidinyl)benzoic acid IUPAC Name: 3-methylsulfonyl-2-pyrrolidin-3-ylbenzoic acid Traditional Name: 3-mesyl-2-pyrrolidin-3-yl-benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1C2CCNC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1C2CCNC2)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-18(16,17)10-4-2-3-9(12(14)15)11(10)8-5-6-13-7-8/h2-4,8,13H,5-7H2,1H3,(H,14,15)