3-(3-nitrophenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(3-nitrophenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(3-nitrophenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: 3-(3-nitrophenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(3-nitrophenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(3-nitrophenyl)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]prop-2-en-1-one Formula: C20H18F3N3O5S MolecularWeight: 469.43423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H18F3N3O5S/c21-20(22,23)17-6-1-2-7-18(17)32(30,31)25-12-10-24(11-13-25)19(27)9-8-15-4-3-5-16(14-15)26(28)29/h1-9,14H,10-13H2