2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide Traditional Name: N-[3-(2-ketopyrrolidino)benzyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C21H24N4O7S MolecularWeight: 476.50286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC(=CC=C2)N3CCCC3=O)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC(=CC=C2)N3CCCC3=O)S(=O)(=O)C

InChI

InChI=1S/C21H24N4O7S/c1-32-19-9-8-17(25(28)29)12-18(19)24(33(2,30)31)14-20(26)22-13-15-5-3-6-16(11-15)23-10-4-7-21(23)27/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3,(H,22,26)