20H

1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide

Created:	2013-08-12
Last modified:	2024-09-27

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1 entries where 20H is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	6

2D diagram of 20H

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Chemical Component Summary
Name	1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide
Formula	C₁₆ H₂₀ Cl₂ N₂ O₃ S
Molecular Weight	391.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1CCC(C(=O)NCCS)CC1)COc2ccc(Cl)cc2Cl
SMILES	CACTVS	3.385	SCCNC(=O)C1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS
Canonical SMILES	CACTVS	3.385	SCCNC(=O)C1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS
InChI	InChI	1.03	InChI=1S/C16H20Cl2N2O3S/c17-12-1-2-14(13(18)9-12)23-10-15(21)20-6-3-11(4-7-20)16(22)19-5-8-24/h1-2,9,11,24H,3-8,10H2,(H,19,22)
InChIKey	InChI	1.03	GMAWQTHVIIUMFA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71815953

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