N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoranyl-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoranyl-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-fluoro-N-homoveratryl-N-methyl-3-nitro-benzenesulfonamide Formula: C17H19FN2O6S MolecularWeight: 398.405963

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H19FN2O6S/c1-19(9-8-12-4-7-16(25-2)17(10-12)26-3)27(23,24)13-5-6-14(18)15(11-13)20(21)22/h4-7,10-11H,8-9H2,1-3H3