2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(5-phenylisoxazol-3-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(5-phenyl-3-isoxazolyl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(5-phenylisoxazol-3-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S2/c1-2-10-24-18-9-8-16(29(21,25)26)12-17(18)22-20(24)28-13-15-11-19(27-23-15)14-6-4-3-5-7-14/h3-9,11-12H,2,10,13H2,1H3,(H2,21,25,26)