N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C16H16ClFN2O4S2 MolecularWeight: 418.890643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCSCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCSCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H16ClFN2O4S2/c1-11-5-6-12(20(21)22)9-16(11)26(23,24)19-7-8-25-10-13-14(17)3-2-4-15(13)18/h2-6,9,19H,7-8,10H2,1H3