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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoranyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-3-nitro-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-3-nitrobenzenesulfonamide Traditional Name: 4-fluoro-N-homoveratryl-3-nitro-benzenesulfonamide Formula: C16H17FN2O6S MolecularWeight: 384.379383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O6S/c1-24-15-6-3-11(9-16(15)25-2)7-8-18-26(22,23)12-4-5-13(17)14(10-12)19(20)21/h3-6,9-10,18H,7-8H2,1-2H3