2-chloranyl-N-(4-fluorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(4-fluorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2-chloro-N-(4-fluorophenyl)-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 2-chloro-N-(4-fluorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C22H21ClFN4O3S+ MolecularWeight: 475.943543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN4O3S/c23-19-9-4-16(15-20(19)32(30,31)26-18-7-5-17(24)6-8-18)22(29)28-13-11-27(12-14-28)21-3-1-2-10-25-21/h1-10,15,26H,11-14H2/p+1