2-(2-chloranyl-4-fluoranyl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-chloro-4-fluorophenoxy)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C18H17ClFN3O6S MolecularWeight: 457.860483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17ClFN3O6S/c19-14-11-13(20)5-6-16(14)29-12-18(24)21-7-9-22(10-8-21)30(27,28)17-4-2-1-3-15(17)23(25)26/h1-6,11H,7-10,12H2