N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-phenoxy-ethanamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-phenoxy-ethanamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-phenoxy-acetamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-phenoxyacetamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-phenoxyacetamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-phenoxy-acetamide Formula: C17H18N2O6S MolecularWeight: 378.39962

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)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O6S/c1-12-8-14(9-13(2)17(12)26(23,24)11-19(21)22)18-16(20)10-25-15-6-4-3-5-7-15/h3-9H,10-11H2,1-2H3,(H,18,20)