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LPW : Summary
Code ![](/pdbe/static/images/help.png)
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LPW
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C21 H19 N O5 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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397.444 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc3CC(=O)NO |
SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO |
Canonical SMILES
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CACTVS |
3.385 |
COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc3CC(=O)NO |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C21H19NO5S/c1-27-18-10-6-15(7-11-18)16-8-12-19(13-9-16)28(25,26)20-5-3-2-4-17(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DJZNIZCARKSSDE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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47 (28 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2017-10-05
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Last modified at ![](/pdbe/static/images/help.png)
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2018-05-11
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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