(2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (2-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C18H16F3N3O5S MolecularWeight: 443.39695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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