N-(4-fluorophenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H20FN4O5S+ MolecularWeight: 423.438603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O5S/c19-14-4-6-15(7-5-14)20-18(24)13-21-8-10-22(11-9-21)29(27,28)17-3-1-2-16(12-17)23(25)26/h1-7,12H,8-11,13H2,(H,20,24)/p+1