N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-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)NCCSCC2=CC=CC=C2F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCSCC2=CC=CC=C2F

InChI

InChI=1S/C16H17FN2O5S2/c1-24-15-7-6-13(19(20)21)10-16(15)26(22,23)18-8-9-25-11-12-4-2-3-5-14(12)17/h2-7,10,18H,8-9,11H2,1H3