1-[3-fluoranyl-4-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[1-(3-pyridylsulfonyl)isonipecotoyl]piperazino]phenyl]ethanone Formula: C23H27FN4O4S MolecularWeight: 474.548283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)F

InChI

InChI=1S/C23H27FN4O4S/c1-17(29)19-4-5-22(21(24)15-19)26-11-13-27(14-12-26)23(30)18-6-9-28(10-7-18)33(31,32)20-3-2-8-25-16-20/h2-5,8,15-16,18H,6-7,9-14H2,1H3