N-[4,5-dimethyl-2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-phenyl]benzenesulfonamide

Systemtic Name: N-[4,5-dimethyl-2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-phenyl]benzenesulfonamide Openeye Name: N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-3-carbonyl)phenyl]benzenesulfonamide CAS Name: N-[4,5-dimethyl-2-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-3-carbonyl)phenyl]benzenesulfonamide Traditional Name: N-[4,5-dimethyl-2-(1-oxidopyridin-1-ium-3-carbonyl)phenyl]benzenesulfonamide Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c1-14-11-18(20(23)16-7-6-10-22(24)13-16)19(12-15(14)2)21-27(25,26)17-8-4-3-5-9-17/h3-13,21H,1-2H3