EWZ

5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide

Created:	2014-07-24
Last modified:	2015-01-21

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1 entries where EWZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	6

2D diagram of EWZ

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Chemical Component Summary
Name	5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	5-[2-[(4-tert-butyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2-chloranyl-benzenesulfonamide
Formula	C₁₆ H₁₈ Cl N₃ O₄ S₂
Molecular Weight	415.915
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2C=C(N=C(SCC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N)N2)C(C)(C)C
SMILES	CACTVS	3.385	CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl
Canonical SMILES	CACTVS	3.385	CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(Cl)c(c2)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl
InChI	InChI	1.03	InChI=1S/C16H18ClN3O4S2/c1-16(2,3)13-7-14(22)20-15(19-13)25-8-11(21)9-4-5-10(17)12(6-9)26(18,23)24/h4-7H,8H2,1-3H3,(H2,18,23,24)(H,19,20,22)
InChIKey	InChI	1.03	RKXYDIJRXKLZIZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2010993
PubChem	135566940, 59052863
ChEMBL	CHEMBL2010993

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