2-chloranyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide Openeye Name: 2-chloro-N-(2-cyanoethyl)-N-(3-pyridylmethyl)-5-(trifluoromethyl)benzenesulfonamide CAS Name: 2-chloro-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-5-(trifluoromethyl)benzenesulfonamide IUPAC Name: 2-chloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide Traditional Name: 2-chloro-N-(2-cyanoethyl)-N-(3-pyridylmethyl)-5-(trifluoromethyl)benzenesulfonamide Formula: C16H13ClF3N3O2S MolecularWeight: 403.80653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClF3N3O2S/c17-14-5-4-13(16(18,19)20)9-15(14)26(24,25)23(8-2-6-21)11-12-3-1-7-22-10-12/h1,3-5,7,9-10H,2,8,11H2