N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)-2-(trifluoromethoxy)benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-2-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)-2-(trifluoromethoxy)benzenesulfonamide Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C16H14F3N3O3S/c17-16(18,19)25-14-6-1-2-7-15(14)26(23,24)22(10-4-8-20)12-13-5-3-9-21-11-13/h1-3,5-7,9,11H,4,10,12H2