N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-1-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-1-(3-nitrophenyl)methanesulfonamide Formula: C16H16ClFN2O4S2 MolecularWeight: 418.890643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClFN2O4S2/c17-15-5-2-6-16(18)14(15)10-25-8-7-19-26(23,24)11-12-3-1-4-13(9-12)20(21)22/h1-6,9,19H,7-8,10-11H2