2-[4-[[2-butyl-5-(hydroxymethyl)-4-methylsulfanyl-imidazol-1-yl]methyl]phenyl]benzenesulfonamide

Systemtic Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-4-methylsulfanyl-imidazol-1-yl]methyl]phenyl]benzenesulfonamide Openeye Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-4-methylsulfanyl-imidazol-1-yl]methyl]phenyl]benzenesulfonamide CAS Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-4-(methylthio)-1-imidazolyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 2-[4-[[2-butyl-5-(hydroxymethyl)-4-methylsulfanylimidazol-1-yl]methyl]phenyl]benzenesulfonamide Traditional Name: 2-[4-[[2-butyl-5-methylol-4-(methylthio)imidazol-1-yl]methyl]phenyl]benzenesulfonamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)CO)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)CO)SC

InChI

InChI=1S/C22H27N3O3S2/c1-3-4-9-21-24-22(29-2)19(15-26)25(21)14-16-10-12-17(13-11-16)18-7-5-6-8-20(18)30(23,27)28/h5-8,10-13,26H,3-4,9,14-15H2,1-2H3,(H2,23,27,28)