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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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