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

Systemtic Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-benzylsulfonyl-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine Formula: C18H18F3N3O4S MolecularWeight: 429.41343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18F3N3O4S/c19-18(20,21)16-12-15(24(25)26)6-7-17(16)22-8-10-23(11-9-22)29(27,28)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2