(5-nitrothiophen-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-nitrothiophen-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (5-nitro-3-thienyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (5-nitro-3-thiophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-nitrothiophen-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (5-nitro-3-thienyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C16H14F3N3O5S2 MolecularWeight: 449.42467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N3O5S2/c17-16(18,19)12-1-3-13(4-2-12)29(26,27)21-7-5-20(6-8-21)15(23)11-9-14(22(24)25)28-10-11/h1-4,9-10H,5-8H2