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- ChemComp-RS2: N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]... -

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Basic information

EntryDatabase: PDB chemical components / ID: RS2
NameName: N-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide

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Chemical information

Composition
Formula: C19H21NO6S / Number of atoms: 48 / Formula weight: 391.438 / Formal charge: 0
Others

966c

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RS2 / Model coordinates PDB-ID: 966C
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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 10.04O=S(=O)(c2ccc(Oc1ccccc1)cc2)C3(CC(=O)NO)CCOCC3
CACTVS 3.341ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccccc3)cc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO

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SMILES CANONICAL

CACTVS 3.341ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccccc3)cc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO

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InChI

InChI 1.03InChI=1S/C19H21NO6S/c21-18(20-22)14-19(10-12-25-13-11-19)27(23,24)17-8-6-16(7-9-17)26-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,21)

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InChIKey

InChI 1.03ARIRIZBKMKMEBD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-hydroxy-2-{4-[(4-phenoxyphenyl)sulfonyl]tetrahydro-2H-pyran-4-yl}acetamide
OpenEye OEToolkits 1.5.0N-hydroxy-2-[4-(4-phenoxyphenyl)sulfonyloxan-4-yl]ethanamide

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PDB entries

Showing all 1 items

PDB-966c:
CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID

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