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

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C18H18FN3O3S2 MolecularWeight: 407.482223

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O3S2/c1-2-9-22-16-8-7-14(27(20,24)25)10-15(16)21-18(22)26-11-17(23)12-3-5-13(19)6-4-12/h3-8,10H,2,9,11H2,1H3,(H2,20,24,25)