3-(2,1,3-benzothiadiazol-4-ylsulfonylazanidyl)-4-fluoranyl-benzoate

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylazanidyl)-4-fluoranyl-benzoate Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylazanidyl)-4-fluoro-benzoate CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylazanidyl)-4-fluorobenzoate IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylazanidyl)-4-fluorobenzoate Traditional Name: 4-fluoro-3-piazthiol-4-ylsulfonylazanidyl-benzoate Formula: C13H6FN3O4S2-2 MolecularWeight: 351.332843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)[N-]C3=C(C=CC(=C3)C(=O)[O-])F

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)[N-]C3=C(C=CC(=C3)C(=O)[O-])F

InChI

InChI=1S/C13H7FN3O4S2/c14-8-5-4-7(13(18)19)6-10(8)17-23(20,21)11-3-1-2-9-12(11)16-22-15-9/h1-6H,(H,18,19)/q-1/p-1