21R

N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide

Created:	2013-08-21
Last modified:	2024-09-27

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1 entries where 21R is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	6

2D diagram of 21R

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Chemical Component Summary
Name	N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Systematic Name (OpenEye OEToolkits)	N-[1-[2-[[4,5-bis(chloranyl)-2-ethyl-phenyl]amino]ethanoyl]piperidin-4-yl]ethanesulfonamide
Formula	C₁₇ H₂₅ Cl₂ N₃ O₃ S
Molecular Weight	422.37
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2CC
SMILES	CACTVS	3.385	CCc1cc(Cl)c(Cl)cc1NCC(=O)N2CCC(CC2)N[S](=O)(=O)CC
SMILES	OpenEye OEToolkits	1.7.6	CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl
Canonical SMILES	CACTVS	3.385	CCc1cc(Cl)c(Cl)cc1NCC(=O)N2CCC(CC2)N[S](=O)(=O)CC
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl
InChI	InChI	1.03	InChI=1S/C17H25Cl2N3O3S/c1-3-12-9-14(18)15(19)10-16(12)20-11-17(23)22-7-5-13(6-8-22)21-26(24,25)4-2/h9-10,13,20-21H,3-8,11H2,1-2H3
InChIKey	InChI	1.03	PGWCCYGESSQJDE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348019

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