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

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C16H15F3N2O6S2 MolecularWeight: 452.42531

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N2O6S2/c1-10-6-13(7-11(2)15(10)28(24,25)9-21(22)23)20-29(26,27)14-5-3-4-12(8-14)16(17,18)19/h3-8,20H,9H2,1-2H3