N-(2-methylsulfanylphenyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[2-(methylthio)phenyl]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[2-(methylthio)phenyl]acetamide Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C16H17N3O5S2/c1-25-15-9-4-3-8-14(15)17-16(20)11-18(26(2,23)24)12-6-5-7-13(10-12)19(21)22/h3-10H,11H2,1-2H3,(H,17,20)