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

Systemtic Name: N',N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]butanediamide Openeye Name: N',N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]butanediamide CAS Name: N',N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]butanediamide IUPAC Name: N',N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]butanediamide Traditional Name: N',N'-bis[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]succinamide Formula: C22H26N4O10S2 MolecularWeight: 570.59264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O10S2/c1-13-7-17(8-14(2)21(13)37(33,34)11-24(29)30)26(20(28)6-5-19(23)27)18-9-15(3)22(16(4)10-18)38(35,36)12-25(31)32/h7-10H,5-6,11-12H2,1-4H3,(H2,23,27)