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

Systemtic Name: N-[2-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]phenyl]methanesulfonamide Openeye Name: N-[2-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]phenyl]methanesulfonamide CAS Name: N-[2-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]phenyl]methanesulfonamide IUPAC Name: N-[2-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]phenyl]methanesulfonamide Traditional Name: N-[2-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]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)C2=CC=CC=C2NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)C2=CC=CC=C2NS(=O)(=O)C

InChI

InChI=1S/C16H18N2O6S2/c1-11-8-13(9-12(2)16(11)26(23,24)10-18(19)20)14-6-4-5-7-15(14)17-25(3,21)22/h4-9,17H,10H2,1-3H3