N-[3-cyano-4-(4-methylphenyl)sulfanyl-phenyl]-2,4-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[3-cyano-4-(4-methylphenyl)sulfanyl-phenyl]-2,4-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[3-cyano-4-(p-tolylsulfanyl)phenyl]-2,4-difluoro-benzenesulfonamide CAS Name: N-[3-cyano-4-[(4-methylphenyl)thio]phenyl]-2,4-difluorobenzenesulfonamide IUPAC Name: N-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]-2,4-difluorobenzenesulfonamide Traditional Name: N-[3-cyano-4-(p-tolylthio)phenyl]-2,4-difluoro-benzenesulfonamide Formula: C20H14F2N2O2S2 MolecularWeight: 416.464166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)F)F)C#N

InChI

InChI=1S/C20H14F2N2O2S2/c1-13-2-6-17(7-3-13)27-19-8-5-16(10-14(19)12-23)24-28(25,26)20-9-4-15(21)11-18(20)22/h2-11,24H,1H3