8PX

5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide

Created:	2017-08-24
Last modified:	2018-06-13

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1 entries where 8PX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	16

2D diagram of 8PX

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Chemical Component Summary
Name	5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	5-bromanyl-2-methoxy-~{N}-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
Formula	C₁₆ H₁₅ Br N₂ O₅ S
Molecular Weight	427.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC
SMILES	OpenEye OEToolkits	2.0.6	Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br
Canonical SMILES	CACTVS	3.385	COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br
InChI	InChI	1.03	InChI=1S/C16H15BrN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3
InChIKey	InChI	1.03	KVGNGFGTOSOVPB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134159768

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.