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

Systemtic Name: N-(4-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-chlorophenyl)-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-chlorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C22H22ClN4O3S+ MolecularWeight: 457.95308

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3S/c23-18-6-8-19(9-7-18)25-31(29,30)20-10-4-17(5-11-20)22(28)27-15-13-26(14-16-27)21-3-1-2-12-24-21/h1-12,25H,13-16H2/p+1