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- ChemComp-ZON: 1-(1,2-benzoxazol-3-yl)methanesulfonamide -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: ZON
NameName: 1-(1,2-benzoxazol-3-yl)methanesulfonamide / Synonyms: Zonisamide
Commentmedication*YM

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Chemical information

Composition
Formula: C8H8N2O3S / Number of atoms: 22 / Formula weight: 212.226 / Formal charge: 0
Others

3po7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZON / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3PO7
History
Create componentNov 26, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / 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)Cc2noc1ccccc12
CACTVS 3.370N[S](=O)(=O)Cc1noc2ccccc12
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(no2)CS(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.370N[S](=O)(=O)Cc1noc2ccccc12
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(no2)CS(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)

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InChIKey

InChI 1.03UBQNRHZMVUUOMG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(1,2-benzoxazol-3-yl)methanesulfonamide
OpenEye OEToolkits 1.7.01,2-benzoxazol-3-ylmethanesulfonamide

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PDB entries

Showing all 1 items

PDB-3po7:
Human monoamine oxidase B in complex with zonisamide

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