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Summary Geometry Related PDB entries

HKN

Summary

Name:	~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
Formula:	C22 H24 N4 O4 S
Formal charge:	0
Formula weight:	440.515 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C22H24N4O4S/c1-16-24-21(15-26(16)14-17-6-4-3-5-7-17)31(27,28)25-20-12-19(13-23-22(20)29-2)18-8-10-30-11-9-18/h3-8,12-13,15,25H,9-11,14H2,1-2H3
InChIKey	InChI	1.03	HEYCQGPIBKDOSR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ncc(cc1N[S](=O)(=O)c2cn(Cc3ccccc3)c(C)n2)C4=CCOCC4
SMILES	CACTVS	3.385	COc1ncc(cc1N[S](=O)(=O)c2cn(Cc3ccccc3)c(C)n2)C4=CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4
SMILES	OpenEye OEToolkits	2.0.6	Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4

218500

PDB entries from 2024-04-17

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