N-[4-(cyanomethyl)phenyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-27(25,26)20(15-3-2-4-16(11-15)21(23)24)12-17(22)19-14-7-5-13(6-8-14)9-10-18/h2-8,11H,9,12H2,1H3,(H,19,22)