N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl]-3-cyano-benzenesulfonamide

Systemtic Name: N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl]-3-cyano-benzenesulfonamide Openeye Name: N-[5-tert-butyl-2-methyl-4-(p-tolylsulfonylsulfanyl)phenyl]-3-cyano-benzenesulfonamide CAS Name: N-[5-tert-butyl-2-methyl-4-[(4-methylphenyl)sulfonylthio]phenyl]-3-cyanobenzenesulfonamide IUPAC Name: N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl]-3-cyanobenzenesulfonamide Traditional Name: N-[5-tert-butyl-2-methyl-4-(tosylthio)phenyl]-3-cyano-benzenesulfonamide Formula: C25H26N2O4S3 MolecularWeight: 514.67994

Click to see the large picture

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=CC(=C3)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S3/c1-17-9-11-20(12-10-17)34(30,31)32-24-13-18(2)23(15-22(24)25(3,4)5)27-33(28,29)21-8-6-7-19(14-21)16-26/h6-15,27H,1-5H3