2-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2,5-difluorophenyl)sulfonylpiperazino]-5-nitro-benzonitrile Formula: C17H14F2N4O4S MolecularWeight: 408.379266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C17H14F2N4O4S/c18-13-1-3-15(19)17(10-13)28(26,27)22-7-5-21(6-8-22)16-4-2-14(23(24)25)9-12(16)11-20/h1-4,9-10H,5-8H2