4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]sulfonylbenzonitrile Formula: C18H15F3N4O4S MolecularWeight: 440.39631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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