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

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoranyl-2-methyl-benzenesulfonamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoro-2-methyl-benzenesulfonamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-fluoro-2-methylbenzenesulfonamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-fluoro-2-methylbenzenesulfonamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-fluoro-2-methyl-benzenesulfonamide Formula: C17H19FN2O6S MolecularWeight: 398.405963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NCCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

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