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- ChemComp-RYV: N-ethyl-4-sulfamoylbenzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: RYV
NameName: N-ethyl-4-sulfamoylbenzamide

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Chemical information

Composition
Formula: C9H12N2O3S / Number of atoms: 27 / Formula weight: 228.268 / Formal charge: 0
Others

3ryv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RYV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3RYV
History
Create componentMay 13, 2011
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEMBL / CompTox / Nikkaji / PubChem / PubChem_TPharma / 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

ACDLabs 12.01O=S(=O)(N)c1ccc(C(=O)NCC)cc1
CACTVS 3.370CCNC(=O)c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.2CCNC(=O)c1ccc(cc1)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.370CCNC(=O)c1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.2CCNC(=O)c1ccc(cc1)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C9H12N2O3S/c1-2-11-9(12)7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)

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InChIKey

InChI 1.03TVIHIVRFUPNIRD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-ethyl-4-sulfamoylbenzamide
OpenEye OEToolkits 1.7.2N-ethyl-4-sulfamoyl-benzamide

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PDB entries

Showing all 1 items

PDB-3ryv:
Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide

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