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

Systemtic Name: 4-bromanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyloxy)benzenesulfonamide Openeye Name: 4-bromo-N-(2-cyanoethyl)-N-(3-pyridylmethyl)-2-(trifluoromethoxy)benzenesulfonamide CAS Name: 4-bromo-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)-2-(trifluoromethoxy)benzenesulfonamide IUPAC Name: 4-bromo-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide Traditional Name: 4-bromo-N-(2-cyanoethyl)-N-(3-pyridylmethyl)-2-(trifluoromethoxy)benzenesulfonamide Formula: C16H13BrF3N3O3S MolecularWeight: 464.25693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrF3N3O3S/c17-13-4-5-15(14(9-13)26-16(18,19)20)27(24,25)23(8-2-6-21)11-12-3-1-7-22-10-12/h1,3-5,7,9-10H,2,8,11H2