2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-(4-bromophenyl)-4-oxobutyl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-(4-bromophenyl)-4-keto-butyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C19H20BrN3O3S2 MolecularWeight: 482.4144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O3S2/c1-2-23-17-10-9-15(28(21,25)26)12-16(17)22-19(23)27-11-3-4-18(24)13-5-7-14(20)8-6-13/h5-10,12H,2-4,11H2,1H3,(H2,21,25,26)