N-(3-iodanylphenyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3-iodanylphenyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(3-iodophenyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(3-iodophenyl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(3-iodophenyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (3-iodophenyl)-(4-mesyl-2-nitro-phenyl)amine Formula: C13H11IN2O4S MolecularWeight: 418.20691

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)I)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)I)[N+](=O)[O-]

InChI

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