1-[1-(3-nitrophenyl)ethyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine

Systemtic Name: 1-[1-(3-nitrophenyl)ethyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine Openeye Name: 1-[1-(3-nitrophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine CAS Name: 1-[1-(3-nitrophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine IUPAC Name: 1-[1-(3-nitrophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine Traditional Name: 1-[1-(3-nitrophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine Formula: C19H20F3N3O5S MolecularWeight: 459.43941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H20F3N3O5S/c1-14(15-3-2-4-16(13-15)25(26)27)23-9-11-24(12-10-23)31(28,29)18-7-5-17(6-8-18)30-19(20,21)22/h2-8,13-14H,9-12H2,1H3