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- ChemComp-PK6: N-methyl-2-thiophenesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: PK6
NameName: N-methyl-2-thiophenesulfonamide

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Chemical information

Composition
Formula: C5H7NO2S2 / Number of atoms: 17 / Formula weight: 177.245 / Formal charge: 0
Others

5may

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PK6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MAY
History
Create componentNov 7, 2016
Initial releaseDec 20, 2017
External linksUniChem / ChemSpider / PubChem / SureChEMBL / ZINC / 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 3.385CN[S](=O)(=O)c1sccc1
OpenEye OEToolkits 2.0.6CNS(=O)(=O)c1cccs1

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SMILES CANONICAL

CACTVS 3.385CN[S](=O)(=O)c1sccc1
OpenEye OEToolkits 2.0.6CNS(=O)(=O)c1cccs1

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InChI

InChI 1.03InChI=1S/C5H7NO2S2/c1-6-10(7,8)5-3-2-4-9-5/h2-4,6H,1H3

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InChIKey

InChI 1.03CTIGHRXLNNYNGU-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N}-methylthiophene-2-sulfonamide

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PDB entries

Showing all 1 items

PDB-5may:
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 2-Thiophenesulfonamide-N-(beta-L-fucopyranosyl methyl)

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