7ZR

3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

Created:	2017-02-23
Last modified:	2021-03-01

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3 entries where 7ZR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	17

2D diagram of 7ZR

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Chemical Component Summary
Name	3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Synonyms	Ro 61-8048
Systematic Name (OpenEye OEToolkits)	3,4-dimethoxy-~{N}-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Formula	C₁₇ H₁₅ N₃ O₆ S₂
Molecular Weight	421.448
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(cc1OC)[S](=O)(=O)Nc2scc(n2)c3cccc(c3)[N+]([O-])=O
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1OC)[S](=O)(=O)Nc2scc(n2)c3cccc(c3)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)
InChIKey	InChI	1.03	NDPBMCKQJOZAQX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL134915
PubChem	5282337
ChEMBL	CHEMBL134915
ChEBI	CHEBI:34953

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.