2-[(4-iodanyl-2-methyl-phenyl)amino]-4-nitro-N-oxidanyl-benzenesulfonamide

Systemtic Name: 2-[(4-iodanyl-2-methyl-phenyl)amino]-4-nitro-N-oxidanyl-benzenesulfonamide Openeye Name: N-hydroxy-2-(4-iodo-2-methyl-anilino)-4-nitro-benzenesulfonamide CAS Name: N-hydroxy-2-(4-iodo-2-methylanilino)-4-nitrobenzenesulfonamide IUPAC Name: N-hydroxy-2-(4-iodo-2-methylanilino)-4-nitrobenzenesulfonamide Traditional Name: N-hydroxy-2-(4-iodo-2-methyl-anilino)-4-nitro-benzenesulfonamide Formula: C13H12IN3O5S MolecularWeight: 449.22095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NO

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NO

InChI

InChI=1S/C13H12IN3O5S/c1-8-6-9(14)2-4-11(8)15-12-7-10(17(19)20)3-5-13(12)23(21,22)16-18/h2-7,15-16,18H,1H3