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1-methylsulfonyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine

1-methylsulfonyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine

Systemtic Name:1-methylsulfonyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
Openeye Name:1-methylsulfonyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
CAS Name:1-methylsulfonyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
IUPAC Name:1-methylsulfonyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
Traditional Name:1-mesyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
Formula: C12H14F3N3O4S
MolecularWeight: 353.31747
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F


Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F


InChI

InChI=1S/C12H14F3N3O4S/c1-23(21,22)17-6-4-16(5-7-17)11-3-2-9(18(19)20)8-10(11)12(13,14)15/h2-3,8H,4-7H2,1H3


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