6UO

2-[(2~{S})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate

Created:	2016-06-28
Last modified:	2017-05-31

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1 entries where 6UO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	1
Bond Count	56
Aromatic Bond Count	12

2D diagram of 6UO

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Chemical Component Summary
Name	2-[(2~{S})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate
Systematic Name (OpenEye OEToolkits)	2-[(2~{S})-1-(phenylmethyl)sulfonylpiperidin-2-yl]carbonyloxyethyl pyridine-3-carboxylate
Formula	C₂₁ H₂₄ N₂ O₆ S
Molecular Weight	432.49
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(OCCOC(=O)c1cccnc1)[CH]2CCCCN2[S](=O)(=O)Cc3ccccc3
SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)CS(=O)(=O)N2CCCCC2C(=O)OCCOC(=O)c3cccnc3
Canonical SMILES	CACTVS	3.385	O=C(OCCOC(=O)c1cccnc1)[C@@H]2CCCCN2[S](=O)(=O)Cc3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)CS(=O)(=O)N2CCCC[C@H]2C(=O)OCCOC(=O)c3cccnc3
InChI	InChI	1.03	InChI=1S/C21H24N2O6S/c24-20(18-9-6-11-22-15-18)28-13-14-29-21(25)19-10-4-5-12-23(19)30(26,27)16-17-7-2-1-3-8-17/h1-3,6-9,11,15,19H,4-5,10,12-14,16H2/t19-/m0/s1
InChIKey	InChI	1.03	KUWLHSSIHRTCQU-IBGZPJMESA-N

Related Resource References

Resource Name	Reference
PubChem	127021000
ChEMBL	CHEMBL3930292

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