N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenylmethanesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-phenyl-methanesulfonamide Formula: C16H18N2O6S2 MolecularWeight: 398.45392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S2/c1-12-8-15(9-13(2)16(12)25(21,22)11-18(19)20)17-26(23,24)10-14-6-4-3-5-7-14/h3-9,17H,10-11H2,1-2H3