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

Systemtic Name: 1-[4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-2-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-2-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-2-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-[2-(cyclopropylmethoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-2-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[2-(cyclopropylmethoxy)-5-mesyl-benzoyl]piperazino]-2-fluoro-phenyl]ethanone Formula: C24H27FN2O5S MolecularWeight: 474.544983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC4CC4)F

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC4CC4)F

InChI

InChI=1S/C24H27FN2O5S/c1-16(28)20-7-5-18(13-22(20)25)26-9-11-27(12-10-26)24(29)21-14-19(33(2,30)31)6-8-23(21)32-15-17-3-4-17/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3