2-[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC(=C(C(=C3C)C)C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC(=C(C(=C3C)C)C)C

InChI

InChI=1S/C22H27N3O3S2/c1-6-9-25-20-8-7-17(30(23,27)28)11-19(20)24-22(25)29-12-21(26)18-10-13(2)14(3)15(4)16(18)5/h7-8,10-11H,6,9,12H2,1-5H3,(H2,23,27,28)