2-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C20H32N5O4S2+ MolecularWeight: 470.62918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CC[NH+](CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C20H31N5O4S2/c1-2-3-7-25-19-5-4-17(31(21,28)29)13-18(19)22-20(25)14-23-8-10-24(11-9-23)16-6-12-30(26,27)15-16/h4-5,13,16H,2-3,6-12,14-15H2,1H3,(H2,21,28,29)/p+1/t16-/m0/s1