N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[5-tert-butyl-2-methyl-4-(p-tolylsulfonylsulfanyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[5-tert-butyl-2-methyl-4-[(4-methylphenyl)sulfonylthio]phenyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[5-tert-butyl-2-methyl-4-(tosylthio)phenyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C25H26F3NO4S3 MolecularWeight: 557.66845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2=CC(=C(C=C2C(C)(C)C)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2=CC(=C(C=C2C(C)(C)C)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C25H26F3NO4S3/c1-16-6-10-20(11-7-16)36(32,33)34-23-14-17(2)22(15-21(23)24(3,4)5)29-35(30,31)19-12-8-18(9-13-19)25(26,27)28/h6-15,29H,1-5H3