2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C20H23N3O4S2/c1-4-9-23-18-7-6-16(29(21,25)26)11-17(18)22-20(23)28-12-15-10-14(13(2)24)5-8-19(15)27-3/h5-8,10-11H,4,9,12H2,1-3H3,(H2,21,25,26)