6U5

~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide

Created:	2016-06-24
Last modified:	2016-09-21

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3 entries where 6U5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	10

2D diagram of 6U5

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Chemical Component Summary
Name	~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide
Formula	C₁₂ H₁₇ N₃ O₂ S
Molecular Weight	267.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCC[S](=O)(=O)Nc1ccc2cnn(C)c2c1
SMILES	OpenEye OEToolkits	2.0.5	CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C
Canonical SMILES	CACTVS	3.385	CCCC[S](=O)(=O)Nc1ccc2cnn(C)c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.5	CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C
InChI	InChI	1.03	InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKey	InChI	1.03	DDWBORAVXJGWPK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	70689295
ChEMBL	CHEMBL2098221

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.