2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S2/c1-4-9-23-18-8-7-15(28(21,25)26)11-17(18)22-20(23)27-12-19(24)16-10-13(2)5-6-14(16)3/h5-8,10-11H,4,9,12H2,1-3H3,(H2,21,25,26)