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

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-fluoro-benzenesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-fluorobenzenesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-2-fluoro-benzenesulfonamide Formula: C15H15FN2O6S2 MolecularWeight: 402.417803

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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=C2F

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NS(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C15H15FN2O6S2/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