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

Systemtic Name: 3-nitro-4-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: 3-nitro-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide CAS Name: 3-nitro-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: 3-nitro-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: 3-nitro-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]methyl]benzamide Formula: C19H19F3N4O6S MolecularWeight: 488.43757

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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=C(C=C3)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N4O6S/c20-19(21,22)32-15-3-5-16(6-4-15)33(30,31)25-9-7-24(8-10-25)12-14-2-1-13(18(23)27)11-17(14)26(28)29/h1-6,11H,7-10,12H2,(H2,23,27)