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

Systemtic Name: (2S)-N-phenyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-phenyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-phenyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-phenyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-phenyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C20H23F3N3O3S+ MolecularWeight: 442.47513

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S/c1-15(19(27)24-17-5-3-2-4-6-17)25-11-13-26(14-12-25)30(28,29)18-9-7-16(8-10-18)20(21,22)23/h2-10,15H,11-14H2,1H3,(H,24,27)/p+1/t15-/m0/s1