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

Systemtic Name: 2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-ethylphenyl)-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=CC=C(C=C3)CC

Isomeric SMILES

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

InChI

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