2-(5-fluoranyl-2-nitro-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(5-fluoranyl-2-nitro-phenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-fluoro-2-nitro-phenoxy)ethanone CAS Name: 2-(5-fluoro-2-nitrophenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(5-fluoro-2-nitrophenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(5-fluoro-2-nitro-phenoxy)ethanone Formula: C19H20FN3O6S MolecularWeight: 437.442003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20FN3O6S/c20-16-6-7-17(23(25)26)18(12-16)29-13-19(24)21-8-10-22(11-9-21)30(27,28)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2