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O9D : Summary
Code ![](/pdbe/static/images/help.png)
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O9D
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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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5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
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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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C16 H17 F N2 O4 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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352.381 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c2(C(=O)NNS(c1ccccc1)(=O)=O)cc(OCC)cc(c2F)C |
SMILES
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CACTVS |
3.385 |
CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C |
Canonical SMILES
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CACTVS |
3.385 |
CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H17FN2O4S/c1-3-23-12-9-11(2)15(17)14(10-12)16(20)18-19-24(21,22)13-7-5-4-6-8-13/h4-10,19H,3H2,1-2H3,(H,18,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JKKRGQGRKITOSW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (24 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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2019-06-19
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Last modified at ![](/pdbe/static/images/help.png)
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2020-03-27
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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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