N-[4-chloranyl-2-(6-methyl-1-oxidanyl-pyridin-1-ium-3-yl)carbonyl-phenyl]-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[4-chloranyl-2-(6-methyl-1-oxidanyl-pyridin-1-ium-3-yl)carbonyl-phenyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[4-chloro-2-(1-hydroxy-6-methyl-pyridin-1-ium-3-carbonyl)phenyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[4-chloro-2-[(1-hydroxy-6-methyl-3-pyridin-1-iumyl)-oxomethyl]phenyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[4-chloro-2-(1-hydroxy-6-methylpyridin-1-ium-3-carbonyl)phenyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[4-chloro-2-(1-hydroxy-6-methyl-pyridin-1-ium-3-carbonyl)phenyl]-4-mesyl-benzenesulfonamide Formula: C20H18ClN2O6S2+ MolecularWeight: 481.94972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CC1=[N+](C=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C20H17ClN2O6S2/c1-13-3-4-14(12-23(13)25)20(24)18-11-15(21)5-10-19(18)22-31(28,29)17-8-6-16(7-9-17)30(2,26)27/h3-12H,1-2H3,(H-,22,24,25)/p+1