2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H22FN3O3S2 MolecularWeight: 435.535383

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O3S2/c1-2-11-24-18-10-9-16(29(22,26)27)13-17(18)23-20(24)28-12-3-4-19(25)14-5-7-15(21)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H2,22,26,27)