2-[[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-[(4-fluorophenoxy)methyl]-4-thiazolyl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C21H21FN4O3S3 MolecularWeight: 492.609843

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)COC4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O3S3/c1-2-9-26-19-8-7-17(32(23,27)28)10-18(19)25-21(26)31-13-15-12-30-20(24-15)11-29-16-5-3-14(22)4-6-16/h3-8,10,12H,2,9,11,13H2,1H3,(H2,23,27,28)