21M

N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide

Created:	2013-08-19
Last modified:	2024-09-27

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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 21M

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Chemical Component Summary
Name	N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
Systematic Name (OpenEye OEToolkits)	N-[1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]piperidin-4-yl]ethanesulfonamide
Formula	C₁₅ H₂₀ Cl₂ N₂ O₄ S
Molecular Weight	395.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1CCC(NS(=O)(=O)CC)CC1)COc2ccc(Cl)cc2Cl
SMILES	CACTVS	3.385	CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl
SMILES	OpenEye OEToolkits	1.7.6	CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl
Canonical SMILES	CACTVS	3.385	CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl
InChI	InChI	1.03	InChI=1S/C15H20Cl2N2O4S/c1-2-24(21,22)18-12-5-7-19(8-6-12)15(20)10-23-14-4-3-11(16)9-13(14)17/h3-4,9,12,18H,2,5-8,10H2,1H3
InChIKey	InChI	1.03	XSFRSTBQVCUTJX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	108565292

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