(2-cyclohexyl-5-methylsulfonyl-phenyl)-[4-(4-ethyl-2-fluoranyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (2-cyclohexyl-5-methylsulfonyl-phenyl)-[4-(4-ethyl-2-fluoranyl-phenyl)piperazin-1-yl]methanone Openeye Name: (2-cyclohexyl-5-methylsulfonyl-phenyl)-[4-(4-ethyl-2-fluoro-phenyl)piperazin-1-yl]methanone CAS Name: (2-cyclohexyl-5-methylsulfonylphenyl)-[4-(4-ethyl-2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: (2-cyclohexyl-5-methylsulfonylphenyl)-[4-(4-ethyl-2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: (2-cyclohexyl-5-mesyl-phenyl)-[4-(4-ethyl-2-fluoro-phenyl)piperazino]methanone Formula: C26H33FN2O3S MolecularWeight: 472.615223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C4CCCCC4)F

Isomeric SMILES

CCC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C4CCCCC4)F

InChI

InChI=1S/C26H33FN2O3S/c1-3-19-9-12-25(24(27)17-19)28-13-15-29(16-14-28)26(30)23-18-21(33(2,31)32)10-11-22(23)20-7-5-4-6-8-20/h9-12,17-18,20H,3-8,13-16H2,1-2H3