3-(azetidin-1-ylsulfonyl)-4-ethyl-benzoic acid

Systemtic Name: 3-(azetidin-1-ylsulfonyl)-4-ethyl-benzoic acid Openeye Name: 3-(azetidin-1-ylsulfonyl)-4-ethyl-benzoic acid CAS Name: 3-(1-azetidinylsulfonyl)-4-ethylbenzoic acid IUPAC Name: 3-(azetidin-1-ylsulfonyl)-4-ethylbenzoic acid Traditional Name: 3-(azetidin-1-ylsulfonyl)-4-ethyl-benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCC2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCC2

InChI

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