XMF

4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE


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Chemical Component Summary

Name4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
Identifiers(4R)-4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazin-2-one
FormulaC26 H29 Cl N4 O4 S
Molecular Weight529.051
TypeNON-POLYMER
Isomeric SMILESc1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)CO
InChIInChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(33)17-31)18-26(19-32)7-11-29(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,32H,7-8,11-14,17-19H2
InChIKeyZRGAURKJCJQBQS-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count1
Bond Count69
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 5289586