5WS

~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide

Created:	2015-12-17
Last modified:	2016-01-13

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1 entries where 5WS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of 5WS

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Chemical Component Summary
Name	~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide
Formula	C₁₂ H₁₄ N₂ O₃ S
Molecular Weight	266.316
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1C(=O)C=C(C)c2ccc(N[S](C)(=O)=O)cc12
SMILES	OpenEye OEToolkits	2.0.4	CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C
Canonical SMILES	CACTVS	3.385	CN1C(=O)C=C(C)c2ccc(N[S](C)(=O)=O)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.4	CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C
InChI	InChI	1.03	InChI=1S/C12H14N2O3S/c1-8-6-12(15)14(2)11-7-9(4-5-10(8)11)13-18(3,16)17/h4-7,13H,1-3H3
InChIKey	InChI	1.03	LJTKZAIXTKZSBU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	105539873
ChEMBL	CHEMBL3775692

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.