N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl]-1-methyl-imidazole-2-sulfonamide

Systemtic Name: N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenyl]-1-methyl-imidazole-2-sulfonamide Openeye Name: N-[5-tert-butyl-2-methyl-4-(p-tolylsulfonylsulfanyl)phenyl]-1-methyl-imidazole-2-sulfonamide CAS Name: N-[5-tert-butyl-2-methyl-4-[(4-methylphenyl)sulfonylthio]phenyl]-1-methyl-2-imidazolesulfonamide IUPAC Name: N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl]-1-methylimidazole-2-sulfonamide Traditional Name: N-[5-tert-butyl-2-methyl-4-(tosylthio)phenyl]-1-methyl-imidazole-2-sulfonamide Formula: C22H27N3O4S3 MolecularWeight: 493.66248

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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)NS(=O)(=O)C3=NC=CN3C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S3/c1-15-7-9-17(10-8-15)32(28,29)30-20-13-16(2)19(14-18(20)22(3,4)5)24-31(26,27)21-23-11-12-25(21)6/h7-14,24H,1-6H3