4-tert-butyl-N-[4-chloranyl-2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[4-chloranyl-2-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[4-chloro-2-(1-oxidopyridin-1-ium-3-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-chloro-2-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[4-chloro-2-(1-oxidopyridin-1-ium-3-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[4-chloro-2-(1-oxidopyridin-1-ium-3-carbonyl)phenyl]benzenesulfonamide Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-6-9-18(10-7-16)30(28,29)24-20-11-8-17(23)13-19(20)21(26)15-5-4-12-25(27)14-15/h4-14,24H,1-3H3