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Summary Geometry Related PDB entries

RY8

Summary

Name:	N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide
Formula:	C19 H19 N3 O3 S2
Formal charge:	0
Formula weight:	401.502 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-(2,3-dimethyl-5-sulfamoyl-phenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C19H19N3O3S2/c1-11-8-16(27(20,24)25)9-17(12(11)2)22-19(23)15-6-4-14(5-7-15)18-10-26-13(3)21-18/h4-10H,1-3H3,(H,22,23)(H2,20,24,25)
InChIKey	InChI	1.03	GGIKQVGRVUTAKR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1scc(n1)c2ccc(cc2)C(=O)Nc3cc(cc(C)c3C)[S](N)(=O)=O
SMILES	CACTVS	3.385	Cc1scc(n1)c2ccc(cc2)C(=O)Nc3cc(cc(C)c3C)[S](N)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1C)NC(=O)c2ccc(cc2)c3csc(n3)C)S(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1C)NC(=O)c2ccc(cc2)c3csc(n3)C)S(=O)(=O)N

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