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

Systemtic Name: 3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzamide Openeye Name: 3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzamide CAS Name: 3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]benzamide IUPAC Name: 3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzamide Traditional Name: 3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]benzamide Formula: C18H17F3N4O5S MolecularWeight: 458.41159

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O5S/c19-18(20,21)13-2-4-14(5-3-13)31(29,30)24-9-7-23(8-10-24)15-6-1-12(17(22)26)11-16(15)25(27)28/h1-6,11H,7-10H2,(H2,22,26)