1-[6-[4-[2-(4-fluorophenyl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]ethanone

Systemtic Name: 1-[6-[4-[2-(4-fluorophenyl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]ethanone Openeye Name: 1-[6-[4-[2-(4-fluorophenyl)-5-methylsulfonyl-benzoyl]piperazin-1-yl]-3-pyridyl]ethanone CAS Name: 1-[6-[4-[[2-(4-fluorophenyl)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-3-pyridinyl]ethanone IUPAC Name: 1-[6-[4-[2-(4-fluorophenyl)-5-methylsulfonylbenzoyl]piperazin-1-yl]pyridin-3-yl]ethanone Traditional Name: 1-[6-[4-[2-(4-fluorophenyl)-5-mesyl-benzoyl]piperazino]-3-pyridyl]ethanone Formula: C25H24FN3O4S MolecularWeight: 481.539163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN3O4S/c1-17(30)19-5-10-24(27-16-19)28-11-13-29(14-12-28)25(31)23-15-21(34(2,32)33)8-9-22(23)18-3-6-20(26)7-4-18/h3-10,15-16H,11-14H2,1-2H3