(2S)-N-ethyl-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C16H23F3N3O4S+ MolecularWeight: 410.43173

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C16H22F3N3O4S/c1-3-20-15(23)12(2)21-8-10-22(11-9-21)27(24,25)14-6-4-13(5-7-14)26-16(17,18)19/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)/p+1/t12-/m0/s1