2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]-1-(4-phenylpiperazino)ethanone Formula: C19H18F3N3O5S2 MolecularWeight: 489.48853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O5S2/c20-19(21,22)32(29,30)15-6-7-17(16(12-15)25(27)28)31-13-18(26)24-10-8-23(9-11-24)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2