N-(4-iodanyl-2-methyl-phenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-(4-iodo-2-methylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(4-iodo-2-methylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-3-nitro-benzenesulfonamide Formula: C13H11IN2O4S MolecularWeight: 418.20691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11IN2O4S/c1-9-7-10(14)5-6-13(9)15-21(19,20)12-4-2-3-11(8-12)16(17)18/h2-8,15H,1H3