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

Systemtic Name: N-[4-chloranyl-2-(2-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)carbonyl-phenyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[4-chloro-2-(2-methyl-1-oxido-pyridin-1-ium-3-carbonyl)phenyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[4-chloro-2-[(2-methyl-1-oxido-3-pyridin-1-iumyl)-oxomethyl]phenyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[4-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[4-chloro-2-(2-methyl-1-oxido-pyridin-1-ium-3-carbonyl)phenyl]-4-mesyl-benzenesulfonamide Formula: C20H17ClN2O6S2 MolecularWeight: 480.94178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=[N+]1[O-])C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=[N+]1[O-])C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

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