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

Systemtic Name: 2-bromanyl-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzenesulfonamide Openeye Name: 2-bromo-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzenesulfonamide CAS Name: 2-bromo-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzenesulfonamide IUPAC Name: 2-bromo-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzenesulfonamide Traditional Name: 2-bromo-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]benzenesulfonamide Formula: C15H15BrN2O6S2 MolecularWeight: 463.3234

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=C2Br

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C15H15BrN2O6S2/c1-10-7-12(8-11(2)15(10)25(21,22)9-18(19)20)17-26(23,24)14-6-4-3-5-13(14)16/h3-8,17H,9H2,1-2H3