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Summary Geometry Related PDB entries

JAF

Summary

Name:	N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
Formula:	C15 H17 N O4 S
Formal charge:	0
Formula weight:	307.365 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
OpenEye OEToolkits	1.7.6	N-(2,6-dimethyl-4-oxidanyl-phenyl)-4-methoxy-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(Nc1c(cc(O)cc1C)C)c2ccc(OC)cc2
InChI	InChI	1.03	InChI=1S/C15H17NO4S/c1-10-8-12(17)9-11(2)15(10)16-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,16-17H,1-3H3
InChIKey	InChI	1.03	UXSFANIQULVRMS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1ccc(cc1)[S](=O)(=O)Nc2c(C)cc(O)cc2C
SMILES	CACTVS	3.370	COc1ccc(cc1)[S](=O)(=O)Nc2c(C)cc(O)cc2C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O

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