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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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