21Z

3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide

Created:	2011-04-25
Last modified:	2012-10-26

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1 entries where 21Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	17

2D diagram of 21Z

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Chemical Component Summary
Name	3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	3-[[4-azanyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
Formula	C₁₆ H₁₄ N₄ O₃ S₂
Molecular Weight	374.437
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3)N
SMILES	CACTVS	3.370	Nc1nc(Nc2cccc(c2)[S](N)(=O)=O)sc1C(=O)c3ccccc3
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N
Canonical SMILES	CACTVS	3.370	Nc1nc(Nc2cccc(c2)[S](N)(=O)=O)sc1C(=O)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)S(=O)(=O)N)N
InChI	InChI	1.03	InChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-5-2-1-3-6-10)24-16(20-15)19-11-7-4-8-12(9-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23)
InChIKey	InChI	1.03	HEKMYKTWCKGDFA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66553069

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