1-(4-bromanyl-2-fluoranyl-phenyl)-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide CAS Name: 1-(4-bromo-2-fluorophenyl)-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide IUPAC Name: 1-(4-bromo-2-fluorophenyl)-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]methanesulfonamide Formula: C16H16BrFN2O6S2 MolecularWeight: 495.340443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrFN2O6S2/c1-10-5-14(6-11(2)16(10)27(23,24)9-20(21)22)19-28(25,26)8-12-3-4-13(17)7-15(12)18/h3-7,19H,8-9H2,1-2H3