6Q0

~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide

Created:	2016-06-03
Last modified:	2016-12-07

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1 entries where 6Q0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	17

2D diagram of 6Q0

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Chemical Component Summary
Name	~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide
Formula	C₁₈ H₁₈ N₂ O₃ S
Molecular Weight	342.412
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1onc(C)c1c2ccc(CN[S](=O)(=O)c3ccccc3)cc2
SMILES	OpenEye OEToolkits	2.0.5	Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3
Canonical SMILES	CACTVS	3.385	Cc1onc(C)c1c2ccc(CN[S](=O)(=O)c3ccccc3)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.5	Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3
InChI	InChI	1.03	InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)16-10-8-15(9-11-16)12-19-24(21,22)17-6-4-3-5-7-17/h3-11,19H,12H2,1-2H3
InChIKey	InChI	1.03	RZFYAEOEPOUGRI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122705803

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.