4-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-nitro-benzamide Formula: C18H19ClFN4O5S+ MolecularWeight: 457.883663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

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