1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-(3-nitrophenoxy)ethanone Formula: C18H17ClFN3O6S MolecularWeight: 457.860483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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