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- ChemComp-M4S: 4-methoxybenzenesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: M4S
NameName: 4-methoxybenzenesulfonamide

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Chemical information

Composition
Formula: C7H9NO3S / Number of atoms: 21 / Formula weight: 187.216 / Formal charge: 0
Others

3lka

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: M4S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LKA
History
Create componentJan 28, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.352COc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.0COc1ccc(cc1)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.352COc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.0COc1ccc(cc1)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)

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InChIKey

InChI 1.03MSFQEZBRFPAFEX-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.14-methoxybenzenesulfonamide

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PDB entries

Showing all 3 items

PDB-3lka:
Catalytic domain of human MMP-12 complexed with hydroxamic acid and paramethoxy-sulfonyl amide

PDB-6i0w:
Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide

PDB-7hj8:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000270975

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