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Summary Geometry Related PDB entries

Q8M

Summary

Name:	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Formula:	C14 H15 Br Cl N3 O3 S
Formal charge:	0
Formula weight:	420.709 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
OpenEye OEToolkits	2.0.7	5-bromanyl-3-chloranyl-~{N}-(1-cyclopentylimidazol-4-yl)-2-oxidanyl-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3
InChI	InChI	1.03	InChI=1S/C14H15BrClN3O3S/c15-9-5-11(16)14(20)12(6-9)23(21,22)18-13-7-19(8-17-13)10-3-1-2-4-10/h5-8,10,18,20H,1-4H2
InChIKey	InChI	1.03	RWBIWQQGKHMDCL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1c(Cl)cc(Br)cc1[S](=O)(=O)Nc2cn(cn2)C3CCCC3
SMILES	CACTVS	3.385	Oc1c(Cl)cc(Br)cc1[S](=O)(=O)Nc2cn(cn2)C3CCCC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br
SMILES	OpenEye OEToolkits	2.0.7	c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br

223532

건을2024-08-07부터공개중

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