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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H19ClFN4O5S+ MolecularWeight: 457.883663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Cl)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18ClFN4O5S/c19-13-5-6-15(14(20)11-13)21-18(25)12-22-7-9-23(10-8-22)30(28,29)17-4-2-1-3-16(17)24(26)27/h1-6,11H,7-10,12H2,(H,21,25)/p+1