M4S

4-methoxybenzenesulfonamide

Created:	2010-01-28
Last modified:	2011-06-04

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2 entries where M4S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of M4S

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Chemical Component Summary
Name	4-methoxybenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-methoxybenzenesulfonamide
Formula	C₇ H₉ N O₃ S
Molecular Weight	187.216
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	COc1ccc(cc1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.7.0	COc1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.352	COc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey	InChI	1.03	MSFQEZBRFPAFEX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	70789
ChEMBL	CHEMBL176402
CCDC/CSD	IWEREI

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.