4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C23H22F3N4O3S+ MolecularWeight: 491.50599

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O3S/c24-23(25,26)18-4-3-5-19(16-18)28-34(32,33)20-9-7-17(8-10-20)22(31)30-14-12-29(13-15-30)21-6-1-2-11-27-21/h1-11,16,28H,12-15H2/p+1