N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide Formula: C17H19FN2O6S MolecularWeight: 398.405963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)CC2=CC=C(C=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)CC2=CC=C(C=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C17H19FN2O6S/c1-25-16-9-13(15(20(21)22)10-17(16)26-2)7-8-19-27(23,24)11-12-3-5-14(18)6-4-12/h3-6,9-10,19H,7-8,11H2,1-2H3