2-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C15H20F2N3O3S+ MolecularWeight: 360.399406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19F2N3O3S/c1-2-5-18-15(21)11-19-6-8-20(9-7-19)24(22,23)12-3-4-13(16)14(17)10-12/h2-4,10H,1,5-9,11H2,(H,18,21)/p+1