21C

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

Created:	2013-08-14
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	6

2D diagram of 21C

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Chemical Component Summary
Name	N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Systematic Name (OpenEye OEToolkits)	N-[1-[2-[[4,5-bis(chloranyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperidin-4-yl]ethanesulfonamide
Formula	C₁₅ H₂₁ Cl₂ N₃ O₄ S
Molecular Weight	410.316
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)cc2O
SMILES	CACTVS	3.385	CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(Cl)c(Cl)cc2O
SMILES	OpenEye OEToolkits	1.7.6	CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl
Canonical SMILES	CACTVS	3.385	CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(Cl)c(Cl)cc2O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl
InChI	InChI	1.03	InChI=1S/C15H21Cl2N3O4S/c1-2-25(23,24)19-10-3-5-20(6-4-10)15(22)9-18-13-7-11(16)12(17)8-14(13)21/h7-8,10,18-19,21H,2-6,9H2,1H3
InChIKey	InChI	1.03	RIUWVQAWHOOGFK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348015

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