N-[[2-prop-1-ynyl-3-(trifluoromethyl)phenyl]methylsulfonylamino]ethanenitrilium

Systemtic Name: N-[[2-prop-1-ynyl-3-(trifluoromethyl)phenyl]methylsulfonylamino]ethanenitrilium Openeye Name: N-[[2-prop-1-ynyl-3-(trifluoromethyl)phenyl]methylsulfonylamino]acetonitrilium CAS Name: N-[[2-prop-1-ynyl-3-(trifluoromethyl)phenyl]methylsulfonylamino]acetonitrilium IUPAC Name: N-[[2-prop-1-ynyl-3-(trifluoromethyl)phenyl]methylsulfonylamino]acetonitrilium Traditional Name: N-[[2-prop-1-ynyl-3-(trifluoromethyl)benzyl]sulfonylamino]acetonitrilium Formula: C13H12F3N2O2S+ MolecularWeight: 317.30679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=CC=C1C(F)(F)F)CS(=O)(=O)N[N+]#CC

Isomeric SMILES

CC#CC1=C(C=CC=C1C(F)(F)F)CS(=O)(=O)N[N+]#CC

InChI

InChI=1S/C13H12F3N2O2S/c1-3-6-11-10(9-21(19,20)18-17-4-2)7-5-8-12(11)13(14,15)16/h5,7-8,18H,9H2,1-2H3/q+1