7JB

~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide

Created:	2016-11-02
Last modified:	2018-11-14

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1 entries where 7JB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	12

2D diagram of 7JB

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Chemical Component Summary
Name	~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-~{tert}-butyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide
Formula	C₁₈ H₁₇ N O₄ S
Molecular Weight	343.397
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)(C)N[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
SMILES	OpenEye OEToolkits	2.0.6	CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O
Canonical SMILES	CACTVS	3.385	CC(C)(C)N[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O
InChI	InChI	1.03	InChI=1S/C18H17NO4S/c1-18(2,3)19-24(22,23)11-8-9-14-15(10-11)17(21)13-7-5-4-6-12(13)16(14)20/h4-10,19H,1-3H3
InChIKey	InChI	1.03	LWNJBYGFPRLQHH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2829333
ChEMBL	CHEMBL4290650

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.