2-[4-(4-chloranyl-2-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-(4-chloranyl-2-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-chloro-2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C12H16ClFN3O3S+ MolecularWeight: 336.790143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)S(=O)(=O)C2=C(C=C(C=C2)Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)S(=O)(=O)C2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C12H15ClFN3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)17-5-3-16(4-6-17)8-12(15)18/h1-2,7H,3-6,8H2,(H2,15,18)/p+1