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- ChemComp-VJP: 1-[(4-aminophenyl)sulfonyl]piperidin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: VJP
NameName: 1-[(4-aminophenyl)sulfonyl]piperidin-2-one

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Chemical information

Composition
Formula: C11H14N2O3S / Number of atoms: 31 / Formula weight: 254.305 / Formal charge: 0
Others

4urz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: VJP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4urz
History
Create componentJul 2, 2014
Initial releaseMar 4, 2015
External linksUniChem / ChemSpider / ChEMBL / PubChem / 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=C2N(S(=O)(=O)c1ccc(N)cc1)CCCC2
CACTVS 3.385Nc1ccc(cc1)[S](=O)(=O)N2CCCCC2=O
OpenEye OEToolkits 1.7.6c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O

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SMILES CANONICAL

CACTVS 3.385Nc1ccc(cc1)[S](=O)(=O)N2CCCCC2=O
OpenEye OEToolkits 1.7.6c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O

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InChI

InChI 1.03InChI=1S/C11H14N2O3S/c12-9-4-6-10(7-5-9)17(15,16)13-8-2-1-3-11(13)14/h4-7H,1-3,8,12H2

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InChIKey

InChI 1.03OWUDZSOVUCVZKR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-[(4-aminophenyl)sulfonyl]piperidin-2-one
OpenEye OEToolkits 1.7.61-(4-aminophenyl)sulfonylpiperidin-2-one

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PDB entries

Showing all 1 items

PDB-4urz:
The crystal structure of H-Ras and SOS in complex with ligands

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