2,5-bis(chloranyl)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 2,5-bis(chloranyl)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 2,5-dichloro-N-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 2,5-dichloro-N-[3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 2,5-dichloro-N-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 2,5-dichloro-N-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Formula: C22H21Cl2N4O3S+ MolecularWeight: 492.39814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N4O3S/c23-17-7-8-19(24)20(15-17)32(30,31)26-18-5-3-4-16(14-18)22(29)28-12-10-27(11-13-28)21-6-1-2-9-25-21/h1-9,14-15,26H,10-13H2/p+1