3-methylsulfonyl-4-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 3-methylsulfonyl-4-pyrrolidin-1-yl-benzoic acid Openeye Name: 3-methylsulfonyl-4-pyrrolidin-1-yl-benzoic acid CAS Name: 3-methylsulfonyl-4-(1-pyrrolidinyl)benzoic acid IUPAC Name: 3-methylsulfonyl-4-pyrrolidin-1-ylbenzoic acid Traditional Name: 3-mesyl-4-pyrrolidino-benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c1-18(16,17)11-8-9(12(14)15)4-5-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)