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

Systemtic Name: [4-(4-cyclopropylsulfonyl-2-fluoranyl-phenyl)piperazin-1-yl]-[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]methanone Openeye Name: [4-(4-cyclopropylsulfonyl-2-fluoro-phenyl)piperazin-1-yl]-(2-isobutoxy-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(4-cyclopropylsulfonyl-2-fluorophenyl)-1-piperazinyl]-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone IUPAC Name: [4-(4-cyclopropylsulfonyl-2-fluorophenyl)piperazin-1-yl]-[2-(2-methylpropoxy)-5-methylsulfonylphenyl]methanone Traditional Name: [4-(4-cyclopropylsulfonyl-2-fluoro-phenyl)piperazino]-(2-isobutoxy-5-mesyl-phenyl)methanone Formula: C25H31FN2O6S2 MolecularWeight: 538.651843

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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=C(C=C(C=C3)S(=O)(=O)C4CC4)F

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C4CC4)F

InChI

InChI=1S/C25H31FN2O6S2/c1-17(2)16-34-24-9-7-19(35(3,30)31)14-21(24)25(29)28-12-10-27(11-13-28)23-8-6-20(15-22(23)26)36(32,33)18-4-5-18/h6-9,14-15,17-18H,4-5,10-13,16H2,1-3H3