[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl] pyridine-3-sulfonate

Systemtic Name: [5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl] pyridine-3-sulfonate Openeye Name: [5-tert-butyl-2-methyl-4-(p-tolylsulfonylsulfanyl)phenyl] pyridine-3-sulfonate CAS Name: 3-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-3-sulfonate Traditional Name: pyridine-3-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=CN=CC=C3)C

Isomeric SMILES

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

InChI

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