1-butyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C19H27N5O4S2/c1-3-4-7-24-17-6-5-15(30(20,27)28)12-16(17)21-19(24)29-13-18(26)23-10-8-22(9-11-23)14(2)25/h5-6,12H,3-4,7-11,13H2,1-2H3,(H2,20,27,28)