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Summary Geometry Related PDB entries

ZEG

Summary

Name:	4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
Formula:	C19 H17 F N2 O3 S2
Formal charge:	0
Formula weight:	404.478 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
OpenEye OEToolkits	2.0.7	4-[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N1CCOCC1)c1ccc(cc1)c1csc(n1)c1ccc(F)cc1
InChI	InChI	1.03	InChI=1S/C19H17FN2O3S2/c20-16-5-1-15(2-6-16)19-21-18(13-26-19)14-3-7-17(8-4-14)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2
InChIKey	InChI	1.03	JYTYZKKXJTUPJO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(cc1)c2scc(n2)c3ccc(cc3)[S](=O)(=O)N4CCOCC4
SMILES	CACTVS	3.385	Fc1ccc(cc1)c2scc(n2)c3ccc(cc3)[S](=O)(=O)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)F

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