N-[4-(cyanomethyl)phenyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)C

InChI

InChI=1S/C18H18N4O6S/c1-28-17-8-7-15(22(24)25)11-16(17)21(29(2,26)27)12-18(23)20-14-5-3-13(4-6-14)9-10-19/h3-8,11H,9,12H2,1-2H3,(H,20,23)