2-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propargyl-acetamide Formula: C15H18F2N3O3S+ MolecularWeight: 358.383526

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

C#CCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C15H17F2N3O3S/c1-2-6-18-14(21)11-19-7-9-20(10-8-19)24(22,23)15-12(16)4-3-5-13(15)17/h1,3-5H,6-11H2,(H,18,21)/p+1