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- ChemComp-3W8: 4-ethoxybenzenesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 3W8
NameName: 4-ethoxybenzenesulfonamide

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Chemical information

Composition
Formula: C8H11NO3S / Number of atoms: 24 / Formula weight: 201.243 / Formal charge: 0
Others

4ruz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3W8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4RUZ
History
Create componentNov 24, 2014
Initial releaseApr 22, 2015
External linksUniChem / ChemSpider / BindingDB / ChEMBL / CompTox / Nikkaji / 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

ACDLabs 12.01O=S(=O)(N)c1ccc(OCC)cc1
CACTVS 3.385CCOc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.6CCOc1ccc(cc1)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.385CCOc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.6CCOc1ccc(cc1)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C8H11NO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)

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InChIKey

InChI 1.03ILKGEOVHANZEFC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-ethoxybenzenesulfonamide
OpenEye OEToolkits 1.7.64-ethoxybenzenesulfonamide

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PDB entries

Showing all 2 items

PDB-4ruz:
Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide

PDB-6i1u:
Human Carbonic Anhydrase II in complex with 4-Ethoxybenzenesulfonamide

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