3-butyl-2-phenacylsulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 3-butyl-2-phenacylsulfanyl-benzimidazole-5-sulfonamide Openeye Name: 3-butyl-2-phenacylsulfanyl-benzimidazole-5-sulfonamide CAS Name: 3-butyl-2-(phenacylthio)-5-benzimidazolesulfonamide IUPAC Name: 3-butyl-2-phenacylsulfanylbenzimidazole-5-sulfonamide Traditional Name: 3-butyl-2-(phenacylthio)benzimidazole-5-sulfonamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S2/c1-2-3-11-22-17-12-15(27(20,24)25)9-10-16(17)21-19(22)26-13-18(23)14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H2,20,24,25)