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- ChemComp-IGF: N,2,5-trimethyl-3-thiophenesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: IGF
NameName: N,2,5-trimethyl-3-thiophenesulfonamide

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Chemical information

Composition
Formula: C7H11NO2S2 / Number of atoms: 23 / Formula weight: 205.298 / Formal charge: 0
Others

5maz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IGF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MAZ
History
Create componentNov 7, 2016
Modify nameDec 12, 2016
Initial releaseDec 20, 2017
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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)c1cc(C)sc1C
OpenEye OEToolkits 2.0.6Cc1cc(c(s1)C)S(=O)(=O)NC

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SMILES CANONICAL

CACTVS 3.385CN[S](=O)(=O)c1cc(C)sc1C
OpenEye OEToolkits 2.0.6Cc1cc(c(s1)C)S(=O)(=O)NC

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InChI

InChI 1.03InChI=1S/C7H11NO2S2/c1-5-4-7(6(2)11-5)12(9,10)8-3/h4,8H,1-3H3

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InChIKey

InChI 1.03MQZNMDAQVFXGMG-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N},2,5-trimethylthiophene-3-sulfonamide

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PDB entries

Showing all 1 items

PDB-5maz:
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 3-Thiophenesulfonamide-2,5-dimethyl-N-methyl-beta-L-fucopyranoside

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