2-[4-[(2-butyl-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]benzenesulfonamide

Systemtic Name: 2-[4-[(2-butyl-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]benzenesulfonamide Openeye Name: 2-[4-[(2-butyl-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]benzenesulfonamide CAS Name: 2-[4-[[2-butyl-4-(methylthio)-1-imidazolyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 2-[4-[(2-butyl-4-methylsulfanylimidazol-1-yl)methyl]phenyl]benzenesulfonamide Traditional Name: 2-[4-[[2-butyl-4-(methylthio)imidazol-1-yl]methyl]phenyl]benzenesulfonamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)SC

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)SC

InChI

InChI=1S/C21H25N3O2S2/c1-3-4-9-20-23-21(27-2)15-24(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)28(22,25)26/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H2,22,25,26)