N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C17H19ClFNO4S2 MolecularWeight: 419.918463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=C(C=CC=C2Cl)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=C(C=CC=C2Cl)F)OC

InChI

InChI=1S/C17H19ClFNO4S2/c1-23-16-7-6-12(10-17(16)24-2)26(21,22)20-8-9-25-11-13-14(18)4-3-5-15(13)19/h3-7,10,20H,8-9,11H2,1-2H3