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

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-[(2-nitrophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-[(2-nitrophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-(2-nitrobenzyl)-4-[4-(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=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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