(4-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (4-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (4-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C18H16F3N3O5S MolecularWeight: 443.39695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O5S/c19-18(20,21)15-3-1-2-4-16(15)30(28,29)23-11-9-22(10-12-23)17(25)13-5-7-14(8-6-13)24(26)27/h1-8H,9-12H2