(2S)-N-cycloheptyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cycloheptyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cycloheptyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cycloheptyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cycloheptyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cycloheptyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H31F3N3O3S+ MolecularWeight: 462.54935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H30F3N3O3S/c1-16(20(28)25-17-8-4-2-3-5-9-17)26-12-14-27(15-13-26)31(29,30)19-11-7-6-10-18(19)21(22,23)24/h6-7,10-11,16-17H,2-5,8-9,12-15H2,1H3,(H,25,28)/p+1/t16-/m0/s1