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- ChemComp-N7J: (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: N7J
NameName: (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide

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Chemical information

Composition
Formula: C7H7N3O4S / Number of atoms: 22 / Formula weight: 229.213 / Formal charge: 0
Others

6ouk

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: N7J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6OUK
History
Create componentMay 6, 2019
Initial releaseMay 6, 2020
External linksUniChem / ChemSpider / PubChem / 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 12.01c1c(ccc2c1N/C(O2)=N/O)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1ccc2OC(Nc2c1)=NO
OpenEye OEToolkits 2.0.7c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2

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SMILES CANONICAL

CACTVS 3.385N[S](=O)(=O)c1ccc2OC(\Nc2c1)=N/O
OpenEye OEToolkits 2.0.7c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2

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InChI

InChI 1.03InChI=1S/C7H7N3O4S/c8-15(12,13)4-1-2-6-5(3-4)9-7(10-11)14-6/h1-3,11H,(H,9,10)(H2,8,12,13)

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InChIKey

InChI 1.03LFVGWDIBDCWZBB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide
OpenEye OEToolkits 2.0.72-hydroxyimino-3~{H}-1,3-benzoxazole-5-sulfonamide

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PDB entries

Showing all 2 items

PDB-6ouk:
Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B

PDB-6oum:
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB10-580B

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