N-(2-cyanoethyl)-3,4-bis(fluoranyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-3,4-bis(fluoranyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-3,4-difluoro-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: N-(2-cyanoethyl)-3,4-difluoro-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-3,4-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-3,4-difluoro-N-(3-pyridylmethyl)benzenesulfonamide Formula: C15H13F2N3O2S MolecularWeight: 337.344426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)S(=O)(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)S(=O)(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C15H13F2N3O2S/c16-14-5-4-13(9-15(14)17)23(21,22)20(8-2-6-18)11-12-3-1-7-19-10-12/h1,3-5,7,9-10H,2,8,11H2