N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methoxy-benzenesulfonamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methoxy-benzenesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methoxy-benzenesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methoxybenzenesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methoxybenzenesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-methoxy-benzenesulfonamide Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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)C2=CC=CC(=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7S2/c1-11-7-13(8-12(2)16(11)26(21,22)10-18(19)20)17-27(23,24)15-6-4-5-14(9-15)25-3/h4-9,17H,10H2,1-3H3