N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-p-anisyl-acetamide Formula: C17H19N3O6S MolecularWeight: 393.41426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C17H19N3O6S/c1-26-16-8-6-13(7-9-16)11-18-17(21)12-19(27(2,24)25)14-4-3-5-15(10-14)20(22)23/h3-10H,11-12H2,1-2H3,(H,18,21)