2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-propargyl-acetamide Formula: C15H18ClFN3O3S+ MolecularWeight: 374.838123

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClFN3O3S/c1-2-5-18-15(21)11-19-6-8-20(9-7-19)24(22,23)12-3-4-14(17)13(16)10-12/h1,3-4,10H,5-9,11H2,(H,18,21)/p+1