N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(3-fluorophenyl)methanesulfonamide Formula: C16H17FN2O6S2 MolecularWeight: 416.444383

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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=CC(=CC=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O6S2/c1-11-6-15(7-12(2)16(11)26(22,23)10-19(20)21)18-27(24,25)9-13-4-3-5-14(17)8-13/h3-8,18H,9-10H2,1-2H3