N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N'-methyl-N'-(phenylmethyl)ethanediamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N'-methyl-N'-(phenylmethyl)ethanediamide Openeye Name: N'-benzyl-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N'-methyl-oxamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N'-methyl-N'-(phenylmethyl)oxamide IUPAC Name: N'-benzyl-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N'-methyloxamide Traditional Name: N'-benzyl-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N'-methyl-oxamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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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)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)C(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O6S/c1-13-9-16(10-14(2)17(13)29(27,28)12-22(25)26)20-18(23)19(24)21(3)11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3,(H,20,23)