1-[4-[4-[2-(cyclohexen-1-yl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(cyclohexen-1-yl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-[2-(cyclohexen-1-yl)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[[2-(1-cyclohexenyl)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-[2-(cyclohexen-1-yl)-5-methylsulfonylbenzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[2-(cyclohexen-1-yl)-5-mesyl-benzoyl]piperazino]-3-fluoro-phenyl]ethanone Formula: C26H29FN2O4S MolecularWeight: 484.582863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C4=CCCCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C4=CCCCC4)F

InChI

InChI=1S/C26H29FN2O4S/c1-18(30)20-8-11-25(24(27)16-20)28-12-14-29(15-13-28)26(31)23-17-21(34(2,32)33)9-10-22(23)19-6-4-3-5-7-19/h6,8-11,16-17H,3-5,7,12-15H2,1-2H3