NUE

4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide

Created:	2013-12-16
Last modified:	2014-04-02

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1 entries where NUE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	18

2D diagram of NUE

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Chemical Component Summary
Name	4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-[(E)-(2-azanyl-3,5-dimethyl-4-oxidanyl-phenyl)diazenyl]-N-pyridin-2-yl-benzenesulfonamide
Formula	C₁₉ H₁₉ N₅ O₃ S
Molecular Weight	397.451
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)c(c2N)C)C)cc3
SMILES	CACTVS	3.385	Cc1cc(N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)c(N)c(C)c1O
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c(c(c1O)C)N)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3
Canonical SMILES	CACTVS	3.385	Cc1cc(N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)c(N)c(C)c1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c(c(c1O)C)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3
InChI	InChI	1.03	InChI=1S/C19H19N5O3S/c1-12-11-16(18(20)13(2)19(12)25)23-22-14-6-8-15(9-7-14)28(26,27)24-17-5-3-4-10-21-17/h3-11,25H,20H2,1-2H3,(H,21,24)/b23-22+
InChIKey	InChI	1.03	PJXWUXARDBIOKJ-GHVJWSGMSA-N

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