3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C19H21F3N3O3S+ MolecularWeight: 428.44855

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O3S/c1-24-8-10-25(11-9-24)29(27,28)17-7-2-4-14(12-17)18(26)23-16-6-3-5-15(13-16)19(20,21)22/h2-7,12-13H,8-11H2,1H3,(H,23,26)/p+1