5-nitro-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 5-nitro-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzonitrile CAS Name: 5-nitro-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 5-nitro-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 5-nitro-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]benzonitrile Formula: C18H15F3N4O4S MolecularWeight: 440.39631

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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=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N4O4S/c19-18(20,21)14-2-1-3-16(11-14)30(28,29)24-8-6-23(7-9-24)17-5-4-15(25(26)27)10-13(17)12-22/h1-5,10-11H,6-9H2