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

Systemtic Name: [5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl] pyridine-2-sulfonate Openeye Name: [5-tert-butyl-2-methyl-4-(p-tolylsulfonylsulfanyl)phenyl] pyridine-2-sulfonate CAS Name: 2-pyridinesulfonic acid [5-tert-butyl-2-methyl-4-[(4-methylphenyl)sulfonylthio]phenyl] ester IUPAC Name: [5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl] pyridine-2-sulfonate Traditional Name: pyridine-2-sulfonic acid [5-tert-butyl-2-methyl-4-(tosylthio)phenyl] ester Formula: C23H25NO5S3 MolecularWeight: 491.6433

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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=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2=CC(=C(C=C2C(C)(C)C)OS(=O)(=O)C3=CC=CC=N3)C

InChI

InChI=1S/C23H25NO5S3/c1-16-9-11-18(12-10-16)32(27,28)30-21-14-17(2)20(15-19(21)23(3,4)5)29-31(25,26)22-8-6-7-13-24-22/h6-15H,1-5H3