2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)benzyl]benzamide Formula: C21H24ClF3N3O3S+ MolecularWeight: 490.94677

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

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