2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C19H20BrN3O4S2 MolecularWeight: 498.4138

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O4S2/c1-3-8-23-16-6-5-13(29(21,25)26)10-15(16)22-19(23)28-11-17(24)12-4-7-18(27-2)14(20)9-12/h4-7,9-10H,3,8,11H2,1-2H3,(H2,21,25,26)