N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H18F2N3O5S2+ MolecularWeight: 446.468726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H17F2N3O5S2/c18-17(19)26-13-4-3-12(10-14(13)27-17)20-15(23)11-21-5-7-22(8-6-21)29(24,25)16-2-1-9-28-16/h1-4,9-10H,5-8,11H2,(H,20,23)/p+1