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

Systemtic Name: 1-[4-[4-[2-(cyclobutylmethoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-[2-(cyclobutylmethoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-[2-(cyclobutylmethoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[2-(cyclobutylmethoxy)-5-mesyl-benzoyl]piperazino]-3-fluoro-phenyl]ethanone Formula: C25H29FN2O5S MolecularWeight: 488.571563

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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)OCC4CCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC4CCC4)F

InChI

InChI=1S/C25H29FN2O5S/c1-17(29)19-6-8-23(22(26)14-19)27-10-12-28(13-11-27)25(30)21-15-20(34(2,31)32)7-9-24(21)33-16-18-4-3-5-18/h6-9,14-15,18H,3-5,10-13,16H2,1-2H3