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

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C17H17F3N2O6S MolecularWeight: 434.38689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N2O6S/c1-27-15-9-11(14(22(23)24)10-16(15)28-2)7-8-21-29(25,26)13-5-3-12(4-6-13)17(18,19)20/h3-6,9-10,21H,7-8H2,1-2H3