N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-3-nitro-benzenesulfonamide Formula: C15H14ClFN2O4S2 MolecularWeight: 404.864063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClFN2O4S2/c16-14-5-2-6-15(17)13(14)10-24-8-7-18-25(22,23)12-4-1-3-11(9-12)19(20)21/h1-6,9,18H,7-8,10H2