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Summary Geometry Related PDB entries

SZG

Summary

Name:	~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide
Formula:	C20 H13 Cl F4 N2 O4 S
Formal charge:	0
Formula weight:	488.84 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C20H13ClF4N2O4S/c21-17-6-5-16(10-18(17)26-19(28)11-7-12(22)9-13(23)8-11)32(29,30)27-14-1-3-15(4-2-14)31-20(24)25/h1-10,20,27H,(H,26,28)
InChIKey	InChI	1.03	NAGQOJQGBKEXGZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	FC(F)Oc1ccc(N[S](=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)cc1
SMILES	CACTVS	3.385	FC(F)Oc1ccc(N[S](=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1NS(=O)(=O)c2ccc(c(c2)NC(=O)c3cc(cc(c3)F)F)Cl)OC(F)F

222415

数据于2024-07-10公开中

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