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

Systemtic Name: (2-butan-2-yloxy-5-methylsulfonyl-phenyl)-[4-(4-ethylsulfonyl-2-fluoranyl-phenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-ethylsulfonyl-2-fluoro-phenyl)piperazin-1-yl]-(5-methylsulfonyl-2-sec-butoxy-phenyl)methanone CAS Name: (2-butan-2-yloxy-5-methylsulfonylphenyl)-[4-(4-ethylsulfonyl-2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: (2-butan-2-yloxy-5-methylsulfonylphenyl)-[4-(4-ethylsulfonyl-2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-esyl-2-fluoro-phenyl)piperazino]-(5-mesyl-2-sec-butoxy-phenyl)methanone Formula: C24H31FN2O6S2 MolecularWeight: 526.641143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN2O6S2/c1-5-17(3)33-23-10-8-18(34(4,29)30)15-20(23)24(28)27-13-11-26(12-14-27)22-9-7-19(16-21(22)25)35(31,32)6-2/h7-10,15-17H,5-6,11-14H2,1-4H3