4-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[4-nitro-2-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazino]sulfonylpiazthiole Formula: C17H14F3N5O4S2 MolecularWeight: 473.44937

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H14F3N5O4S2/c18-17(19,20)12-10-11(25(26)27)4-5-14(12)23-6-8-24(9-7-23)31(28,29)15-3-1-2-13-16(15)22-30-21-13/h1-5,10H,6-9H2