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

Systemtic Name: 2-(2-fluoranyl-4-nitro-phenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-fluoro-4-nitro-phenoxy)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-fluoro-4-nitrophenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-fluoro-4-nitrophenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-fluoro-4-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=C(C=C2)[N+](=O)[O-])F)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O6S/c21-18-14-17(24(26)27)6-7-19(18)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+