3-bromanyl-N-(2-morpholin-4-ium-4-ylethyl)-5-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 3-bromanyl-N-(2-morpholin-4-ium-4-ylethyl)-5-(trifluoromethyl)benzenesulfonamide Openeye Name: 3-bromo-N-(2-morpholin-4-ium-4-ylethyl)-5-(trifluoromethyl)benzenesulfonamide CAS Name: 3-bromo-N-[2-(4-morpholin-4-iumyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide IUPAC Name: 3-bromo-N-(2-morpholin-4-ium-4-ylethyl)-5-(trifluoromethyl)benzenesulfonamide Traditional Name: 3-bromo-N-(2-morpholin-4-ium-4-ylethyl)-5-(trifluoromethyl)benzenesulfonamide Formula: C13H17BrF3N2O3S+ MolecularWeight: 418.24989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)Br

Isomeric SMILES

C1COCC[NH+]1CCNS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)Br

InChI

InChI=1S/C13H16BrF3N2O3S/c14-11-7-10(13(15,16)17)8-12(9-11)23(20,21)18-1-2-19-3-5-22-6-4-19/h7-9,18H,1-6H2/p+1