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

Systemtic Name: 2-(5-fluoranyl-2-nitro-phenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(5-fluoro-2-nitro-phenoxy)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(5-fluoro-2-nitrophenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(5-fluoro-2-nitrophenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(5-fluoro-2-nitro-phenoxy)-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C20H20FN3O6S MolecularWeight: 449.452703

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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)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O6S/c21-17-6-7-18(24(26)27)19(14-17)30-15-20(25)22-9-11-23(12-10-22)31(28,29)13-8-16-4-2-1-3-5-16/h1-8,13-14H,9-12,15H2/b13-8+