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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C18H21N3O6S MolecularWeight: 407.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-27-17-8-6-14(7-9-17)10-11-19-18(22)13-20(28(2,25)26)15-4-3-5-16(12-15)21(23)24/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)