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

Systemtic Name: 4-bromanyl-N,N-bis(pyridin-3-ylmethyl)-2-(trifluoromethyloxy)benzenesulfonamide Openeye Name: 4-bromo-N,N-bis(3-pyridylmethyl)-2-(trifluoromethoxy)benzenesulfonamide CAS Name: 4-bromo-N,N-bis(3-pyridinylmethyl)-2-(trifluoromethoxy)benzenesulfonamide IUPAC Name: 4-bromo-N,N-bis(pyridin-3-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide Traditional Name: 4-bromo-N,N-bis(3-pyridylmethyl)-2-(trifluoromethoxy)benzenesulfonamide Formula: C19H15BrF3N3O3S MolecularWeight: 502.30491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)OC(F)(F)F

InChI

InChI=1S/C19H15BrF3N3O3S/c20-16-5-6-18(17(9-16)29-19(21,22)23)30(27,28)26(12-14-3-1-7-24-10-14)13-15-4-2-8-25-11-15/h1-11H,12-13H2