2-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(4-isopropylphenyl)-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-oxo-2-(4-propan-2-ylphenyl)ethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2-keto-2-p-cumenyl-ethyl)thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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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=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-4-11-24-19-10-9-17(29(22,26)27)12-18(19)23-21(24)28-13-20(25)16-7-5-15(6-8-16)14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H2,22,26,27)