N-[3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: N-[3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[3-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C23H22F3N4O3S+ MolecularWeight: 491.50599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

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