3-nitro-4-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: 3-nitro-4-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: 3-nitro-4-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide CAS Name: 3-nitro-4-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: 3-nitro-4-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: 3-nitro-4-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]benzamide Formula: C19H19F3N4O5S MolecularWeight: 472.43817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H19F3N4O5S/c20-19(21,22)15-2-1-3-16(11-15)32(30,31)25-8-6-24(7-9-25)12-14-5-4-13(18(23)27)10-17(14)26(28)29/h1-5,10-11H,6-9,12H2,(H2,23,27)