[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone Openeye Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone CAS Name: [4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-[4-(trifluoromethylthio)phenyl]methanone IUPAC Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone Traditional Name: [4-(3-nitrophenyl)sulfonylpiperazino]-[4-(trifluoromethylthio)phenyl]methanone Formula: C18H16F3N3O5S2 MolecularWeight: 475.46195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O5S2/c19-18(20,21)30-15-6-4-13(5-7-15)17(25)22-8-10-23(11-9-22)31(28,29)16-3-1-2-14(12-16)24(26)27/h1-7,12H,8-11H2