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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,4-difluorophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-difluorophenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3,4-difluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,4-difluorophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C16H18F2N3O3S2+ MolecularWeight: 402.459226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H17F2N3O3S2/c17-13-4-3-12(10-14(13)18)19-15(22)11-20-5-7-21(8-6-20)26(23,24)16-2-1-9-25-16/h1-4,9-10H,5-8,11H2,(H,19,22)/p+1