N,N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]propanediamide

Systemtic Name: N,N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]propanediamide Openeye Name: N,N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]propanediamide CAS Name: N,N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]propanediamide IUPAC Name: N,N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]propanediamide Traditional Name: N,N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]malonamide Formula: C21H24N4O10S2 MolecularWeight: 556.56606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)CC(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)C[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)CC(=O)NC2=CC(=C(C(=C2)C)S(=O)(=O)C[N+](=O)[O-])C

InChI

InChI=1S/C21H24N4O10S2/c1-12-5-16(6-13(2)20(12)36(32,33)10-24(28)29)22-18(26)9-19(27)23-17-7-14(3)21(15(4)8-17)37(34,35)11-25(30)31/h5-8H,9-11H2,1-4H3,(H,22,26)(H,23,27)