4-chloranyl-5-methyl-N-(4-methyl-1H-benzimidazol-2-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-5-methyl-N-(4-methyl-1H-benzimidazol-2-yl)-2-(phenylmethylsulfanyl)benzenesulfonamide Openeye Name: 2-benzylsulfanyl-4-chloro-5-methyl-N-(4-methyl-1H-benzimidazol-2-yl)benzenesulfonamide CAS Name: 4-chloro-5-methyl-N-(4-methyl-1H-benzimidazol-2-yl)-2-(phenylmethylthio)benzenesulfonamide IUPAC Name: 2-benzylsulfanyl-4-chloro-5-methyl-N-(4-methyl-1H-benzimidazol-2-yl)benzenesulfonamide Traditional Name: 2-(benzylthio)-4-chloro-5-methyl-N-(4-methyl-1H-benzimidazol-2-yl)benzenesulfonamide Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O2S2/c1-14-7-6-10-18-21(14)25-22(24-18)26-30(27,28)20-11-15(2)17(23)12-19(20)29-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H2,24,25,26)