PZJ

(3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol

Created:	2019-08-29
Last modified:	2020-09-30

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1 entries where PZJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	2
Bond Count	42
Aromatic Bond Count	6

2D diagram of PZJ

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Chemical Component Summary
Name	(3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
Systematic Name (OpenEye OEToolkits)	(3~{R},4~{R})-4-[4-(2-chlorophenyl)piperazin-1-yl]-1,1-bis(oxidanylidene)thiolan-3-ol
Formula	C₁₄ H₁₉ Cl N₂ O₃ S
Molecular Weight	330.83
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(CS(CC1N3CCN(c2c(cccc2)Cl)CC3)(=O)=O)O
SMILES	CACTVS	3.385	O[CH]1C[S](=O)(=O)C[CH]1N2CCN(CC2)c3ccccc3Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)N2CCN(CC2)C3CS(=O)(=O)CC3O)Cl
Canonical SMILES	CACTVS	3.385	O[C@H]1C[S](=O)(=O)C[C@@H]1N2CCN(CC2)c3ccccc3Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl
InChI	InChI	1.03	InChI=1S/C14H19ClN2O3S/c15-11-3-1-2-4-12(11)16-5-7-17(8-6-16)13-9-21(19,20)10-14(13)18/h1-4,13-14,18H,5-10H2/t13-,14-/m0/s1
InChIKey	InChI	1.03	CRYVRLLTCKZRFB-KBPBESRZSA-N

Related Resource References

Resource Name	Reference
PubChem	39967537

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