[4-(2-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone

Systemtic Name: [4-(2-fluoranyl-4-methylsulfonyl-phenyl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone Openeye Name: [4-(2-fluoro-4-methylsulfonyl-phenyl)piperazin-1-yl]-(2-isopropoxy-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(2-fluoro-4-methylsulfonylphenyl)-1-piperazinyl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone IUPAC Name: [4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone Traditional Name: [4-(2-fluoro-4-mesyl-phenyl)piperazino]-(2-isopropoxy-5-mesyl-phenyl)methanone Formula: C22H27FN2O6S2 MolecularWeight: 498.587983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H27FN2O6S2/c1-15(2)31-21-8-6-16(32(3,27)28)13-18(21)22(26)25-11-9-24(10-12-25)20-7-5-17(14-19(20)23)33(4,29)30/h5-8,13-15H,9-12H2,1-4H3