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

Systemtic Name: 2-chloranyl-N-methyl-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-methyl-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2-chloro-N-methyl-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-N-phenylbenzenesulfonamide IUPAC Name: 2-chloro-N-methyl-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 2-chloro-N-methyl-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C23H24ClN4O3S+ MolecularWeight: 471.97966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl

InChI

InChI=1S/C23H23ClN4O3S/c1-26(19-7-3-2-4-8-19)32(30,31)21-17-18(10-11-20(21)24)23(29)28-15-13-27(14-16-28)22-9-5-6-12-25-22/h2-12,17H,13-16H2,1H3/p+1