(2S)-N-(5-chloranyl-2-methyl-phenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(5-chloranyl-2-methyl-phenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(5-chloro-2-methyl-phenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(5-chloro-2-methylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-chloro-2-methylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(5-chloro-2-methyl-phenyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H24ClF3N3O3S+ MolecularWeight: 490.94677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23ClF3N3O3S/c1-14-3-6-17(22)13-19(14)26-20(29)15(2)27-9-11-28(12-10-27)32(30,31)18-7-4-16(5-8-18)21(23,24)25/h3-8,13,15H,9-12H2,1-2H3,(H,26,29)/p+1/t15-/m0/s1