N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methoxy-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-2-methoxy-5-nitro-benzenesulfonamide Formula: C16H17FN2O5S2 MolecularWeight: 400.444983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCSC2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCSC2=CC=C(C=C2)F

InChI

InChI=1S/C16H17FN2O5S2/c1-24-15-8-5-13(19(20)21)11-16(15)26(22,23)18-9-2-10-25-14-6-3-12(17)4-7-14/h3-8,11,18H,2,9-10H2,1H3