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

Systemtic Name: (4-methyl-3-methylsulfonyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-methyl-3-methylsulfonyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (4-methyl-3-methylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-methylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (3-mesyl-4-methyl-phenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C20H21F3N2O5S2 MolecularWeight: 490.51635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C20H21F3N2O5S2/c1-14-3-4-15(13-18(14)31(2,27)28)19(26)24-9-11-25(12-10-24)32(29,30)17-7-5-16(6-8-17)20(21,22)23/h3-8,13H,9-12H2,1-2H3