1-[(2-methoxy-5-nitro-phenyl)methyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine Openeye Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine CAS Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine IUPAC Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine Traditional Name: 1-(2-methoxy-5-nitro-benzyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine Formula: C19H20F3N3O6S MolecularWeight: 475.43881

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H20F3N3O6S/c1-30-18-7-2-15(25(26)27)12-14(18)13-23-8-10-24(11-9-23)32(28,29)17-5-3-16(4-6-17)31-19(20,21)22/h2-7,12H,8-11,13H2,1H3