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

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C19H21N3O4S2/c1-4-22-17-7-6-15(28(20,24)25)10-16(17)21-19(22)27-11-14-9-13(12(2)23)5-8-18(14)26-3/h5-10H,4,11H2,1-3H3,(H2,20,24,25)