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- ChemComp-7O8: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 7O8
NameName: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide

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Chemical information

Composition
Formula: C11H10ClNO2S3 / Number of atoms: 28 / Formula weight: 319.851 / Formal charge: 0
Others

5mjn

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7O8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MJN
History
Create componentDec 1, 2016
Initial releaseDec 6, 2017
External linksUniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / 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

CACTVS 3.385N[S](=O)(=O)c1sc(SCc2ccc(Cl)cc2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl

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SMILES CANONICAL

CACTVS 3.385N[S](=O)(=O)c1sc(SCc2ccc(Cl)cc2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl

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InChI

InChI 1.03InChI=1S/C11H10ClNO2S3/c12-9-3-1-8(2-4-9)7-16-10-5-6-11(17-10)18(13,14)15/h1-6H,7H2,(H2,13,14,15)

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InChIKey

InChI 1.03YITSBZGLCZKZEB-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.65-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide

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PDB entries

Showing all 1 items

PDB-5mjn:
Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide

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