N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-di(propan-2-yl)ethanediamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-di(propan-2-yl)ethanediamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-diisopropyl-oxamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-di(propan-2-yl)oxamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-di(propan-2-yl)oxamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-diisopropyl-oxamide Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-10(2)20(11(3)4)17(22)16(21)18-14-7-12(5)15(13(6)8-14)27(25,26)9-19(23)24/h7-8,10-11H,9H2,1-6H3,(H,18,21)