2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[2-nitro-4-(trifluoromethyl)anilino]-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)anilino]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C17H17F3N4O5S2 MolecularWeight: 478.46589

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H17F3N4O5S2/c18-17(19,20)12-3-4-13(14(10-12)24(26)27)21-11-15(25)22-5-7-23(8-6-22)31(28,29)16-2-1-9-30-16/h1-4,9-10,21H,5-8,11H2