(3-methyl-2-nitro-phenyl)-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methyl-2-nitro-phenyl)-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (3-methyl-2-nitro-phenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (3-methyl-2-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methyl-2-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (3-methyl-2-nitro-phenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]methanone Formula: C19H18F3N3O6S MolecularWeight: 473.42293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H18F3N3O6S/c1-13-3-2-4-16(17(13)25(27)28)18(26)23-9-11-24(12-10-23)32(29,30)15-7-5-14(6-8-15)31-19(20,21)22/h2-8H,9-12H2,1H3