4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]sulfonylbenzenesulfonamide Formula: C17H17F3N4O6S2 MolecularWeight: 494.46529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O6S2/c18-17(19,20)12-1-6-15(16(11-12)24(25)26)22-7-9-23(10-8-22)32(29,30)14-4-2-13(3-5-14)31(21,27)28/h1-6,11H,7-10H2,(H2,21,27,28)