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

Systemtic Name: 2-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C18H18BrN3O3S2 MolecularWeight: 468.38782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O3S2/c1-3-22-16-9-8-14(27(20,24)25)10-15(16)21-18(22)26-11(2)17(23)12-4-6-13(19)7-5-12/h4-11H,3H2,1-2H3,(H2,20,24,25)