2-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-6-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-methyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-6-phenyl-pyridine-3-carboxamide Openeye Name: 2-methyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-6-phenyl-pyridine-3-carboxamide CAS Name: 2-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-6-phenyl-3-pyridinecarboxamide IUPAC Name: 2-methyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-6-phenylpyridine-3-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-methyl-6-phenyl-nicotinamide Formula: C22H22N4O5S MolecularWeight: 454.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c1-15-18(9-11-19(25-15)16-6-4-3-5-7-16)22(27)24-13-12-23-20-10-8-17(32(2,30)31)14-21(20)26(28)29/h3-11,14,23H,12-13H2,1-2H3,(H,24,27)