2-[4-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(5-fluoro-2-nitro-phenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(5-fluoro-2-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(5-fluoro-2-nitro-phenoxy)acetyl]piperazino]sulfonylbenzonitrile Formula: C19H17FN4O6S MolecularWeight: 448.424883

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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)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=CC(=C2)F)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H17FN4O6S/c20-15-5-6-16(24(26)27)17(11-15)30-13-19(25)22-7-9-23(10-8-22)31(28,29)18-4-2-1-3-14(18)12-21/h1-6,11H,7-10,13H2