3-(pyrrolidin-1-ylsulfonylmethyl)benzoic acid

Systemtic Name: 3-(pyrrolidin-1-ylsulfonylmethyl)benzoic acid Openeye Name: 3-(pyrrolidin-1-ylsulfonylmethyl)benzoic acid CAS Name: 3-(1-pyrrolidinylsulfonylmethyl)benzoic acid IUPAC Name: 3-(pyrrolidin-1-ylsulfonylmethyl)benzoic acid Traditional Name: 3-(pyrrolidinosulfonylmethyl)benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H15NO4S/c14-12(15)11-5-3-4-10(8-11)9-18(16,17)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2,(H,14,15)