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

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C19H18F3N3O5S MolecularWeight: 457.42353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O5S/c1-13-12-14(6-7-16(13)25(27)28)18(26)23-8-10-24(11-9-23)31(29,30)17-5-3-2-4-15(17)19(20,21)22/h2-7,12H,8-11H2,1H3