1-butyl-2-[2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-[2-(2-fluorobenzoyl)hydrazino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-[[(2-fluorophenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-[N'-(2-fluorobenzoyl)hydrazino]-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C20H22FN5O4S2 MolecularWeight: 479.548183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H22FN5O4S2/c1-2-3-10-26-17-9-8-13(32(22,29)30)11-16(17)23-20(26)31-12-18(27)24-25-19(28)14-6-4-5-7-15(14)21/h4-9,11H,2-3,10,12H2,1H3,(H,24,27)(H,25,28)(H2,22,29,30)