(2S)-N-[3,4-bis(fluoranyl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-[3,4-bis(fluoranyl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3,4-difluorophenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3,4-difluorophenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3,4-difluorophenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3,4-difluorophenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C20H21F5N3O3S+ MolecularWeight: 478.456056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F5N3O3S/c1-13(19(29)26-15-4-7-17(21)18(22)12-15)27-8-10-28(11-9-27)32(30,31)16-5-2-14(3-6-16)20(23,24)25/h2-7,12-13H,8-11H2,1H3,(H,26,29)/p+1/t13-/m0/s1