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

Systemtic Name: N-tert-butyl-2-[4-(2-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(2-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C16H24ClFN3O3S+ MolecularWeight: 392.896463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClFN3O3S/c1-16(2,3)19-15(22)11-20-6-8-21(9-7-20)25(23,24)14-5-4-12(18)10-13(14)17/h4-5,10H,6-9,11H2,1-3H3,(H,19,22)/p+1