4-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: 4-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-(trifluoromethyl)benzenesulfonamide Formula: C17H16ClF3N2O6S MolecularWeight: 468.83195

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=C(C=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=C(C=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16ClF3N2O6S/c1-28-14-7-10(13(23(24)25)9-15(14)29-2)5-6-22-30(26,27)16-4-3-11(18)8-12(16)17(19,20)21/h3-4,7-9,22H,5-6H2,1-2H3