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Summary Geometry Related PDB entries

Q8S

Summary

Name:	5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Formula:	C15 H17 Br Cl N3 O3 S
Formal charge:	0
Formula weight:	434.736 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
OpenEye OEToolkits	2.0.7	5-bromanyl-3-chloranyl-~{N}-(1-cyclopentyl-2-methyl-imidazol-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)nc3C
InChI	InChI	1.03	InChI=1S/C15H17BrClN3O3S/c1-9-18-14(8-20(9)11-4-2-3-5-11)19-24(22,23)13-7-10(16)6-12(17)15(13)21/h6-8,11,19,21H,2-5H2,1H3
InChIKey	InChI	1.03	WOKCPJTYIUMFPY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3
SMILES	CACTVS	3.385	Cc1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br

222415

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