2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(3-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(3-bromophenyl)-2-oxo-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(3-bromophenyl)-2-oxoethyl]thio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(3-bromophenyl)-2-keto-ethyl]thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C19H20BrN3O3S2 MolecularWeight: 482.4144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H20BrN3O3S2/c1-2-3-9-23-17-8-7-15(28(21,25)26)11-16(17)22-19(23)27-12-18(24)13-5-4-6-14(20)10-13/h4-8,10-11H,2-3,9,12H2,1H3,(H2,21,25,26)