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- ChemComp-5UN: N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 5UN
NameName: N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide

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Chemical information

Composition
Formula: C12H12N2O3S2 / Number of atoms: 31 / Formula weight: 296.365 / Formal charge: 0
Others

3r16

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5UN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3R16
History
Create componentMar 11, 2011
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

ACDLabs 12.01O=C(Nc1ccc(cc1)S(=O)(=O)N)Cc2sccc2
CACTVS 3.370N[S](=O)(=O)c1ccc(NC(=O)Cc2sccc2)cc1
OpenEye OEToolkits 1.7.0c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.370N[S](=O)(=O)c1ccc(NC(=O)Cc2sccc2)cc1
OpenEye OEToolkits 1.7.0c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)

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InChIKey

InChI 1.03ZQWXOBLMDBJRLY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
OpenEye OEToolkits 1.7.0N-(4-sulfamoylphenyl)-2-thiophen-2-yl-ethanamide

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PDB entries

Showing all 1 items

PDB-3r16:
Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide

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