[4-[3-fluoranyl-4-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]methanone

Systemtic Name: [4-[3-fluoranyl-4-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]methanone Openeye Name: [4-[3-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-isobutoxy-5-methylsulfonyl-phenyl)methanone CAS Name: [4-[3-fluoro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone IUPAC Name: [4-[3-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone Traditional Name: [4-[3-fluoro-4-(trifluoromethyl)phenyl]piperazino]-(2-isobutoxy-5-mesyl-phenyl)methanone Formula: C23H26F4N2O4S MolecularWeight: 502.522153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)C(F)(F)F)F

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C23H26F4N2O4S/c1-15(2)14-33-21-7-5-17(34(3,31)32)13-18(21)22(30)29-10-8-28(9-11-29)16-4-6-19(20(24)12-16)23(25,26)27/h4-7,12-13,15H,8-11,14H2,1-3H3