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

Systemtic Name: (2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C15H23FN3O3S+ MolecularWeight: 344.424823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22FN3O3S/c1-3-17-15(20)12(2)18-8-10-19(11-9-18)23(21,22)14-6-4-13(16)5-7-14/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)/p+1/t12-/m0/s1