N-(4-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-fluorophenyl)-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-fluorophenyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C22H22FN4O3S+ MolecularWeight: 441.498483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O3S/c23-18-7-9-19(10-8-18)25-31(29,30)20-5-3-4-17(16-20)22(28)27-14-12-26(13-15-27)21-6-1-2-11-24-21/h1-11,16,25H,12-15H2/p+1