1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-(2-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine Formula: C18H18F3N3O4S MolecularWeight: 429.41343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

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