N-(4-iodophenyl)-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-(4-iodophenyl)-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-(4-iodophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(4-iodophenyl)-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C16H16IN3O5S MolecularWeight: 489.28481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)I)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)I)S(=O)(=O)C

InChI

InChI=1S/C16H16IN3O5S/c1-11-3-8-14(20(22)23)9-15(11)19(26(2,24)25)10-16(21)18-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,18,21)