[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl] 4-cyanobenzenesulfonate

Systemtic Name: [5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl] 4-cyanobenzenesulfonate Openeye Name: [5-tert-butyl-2-methyl-4-(p-tolylsulfonylsulfanyl)phenyl] 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid [5-tert-butyl-2-methyl-4-[(4-methylphenyl)sulfonylthio]phenyl] ester IUPAC Name: [5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl] 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid [5-tert-butyl-2-methyl-4-(tosylthio)phenyl] ester Formula: C25H25NO5S3 MolecularWeight: 515.6647

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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)OS(=O)(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO5S3/c1-17-6-10-21(11-7-17)34(29,30)32-24-14-18(2)23(15-22(24)25(3,4)5)31-33(27,28)20-12-8-19(16-26)9-13-20/h6-15H,1-5H3