[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl] 1-methylimidazole-2-sulfonate

Systemtic Name: [5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl] 1-methylimidazole-2-sulfonate Openeye Name: [5-tert-butyl-2-methyl-4-(p-tolylsulfonylsulfanyl)phenyl] 1-methylimidazole-2-sulfonate CAS Name: 1-methyl-2-imidazolesulfonic acid [5-tert-butyl-2-methyl-4-[(4-methylphenyl)sulfonylthio]phenyl] ester IUPAC Name: [5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl] 1-methylimidazole-2-sulfonate Traditional Name: 1-methylimidazole-2-sulfonic acid [5-tert-butyl-2-methyl-4-(tosylthio)phenyl] ester Formula: C22H26N2O5S3 MolecularWeight: 494.64724

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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=NC=CN3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2=CC(=C(C=C2C(C)(C)C)OS(=O)(=O)C3=NC=CN3C)C

InChI

InChI=1S/C22H26N2O5S3/c1-15-7-9-17(10-8-15)32(27,28)30-20-13-16(2)19(14-18(20)22(3,4)5)29-31(25,26)21-23-11-12-24(21)6/h7-14H,1-6H3