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O6G : Summary
Code ![](/pdbe/static/images/help.png)
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O6G
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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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N-(2-cyano-3-methyl-1H-indol-5-yl)butane-1-sulfonamide
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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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C14 H17 N3 O2 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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291.369 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(cc1c(C)c(C#N)nc1cc2)NS(CCCC)(=O)=O |
SMILES
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CACTVS |
3.385 |
CCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C |
Canonical SMILES
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CACTVS |
3.385 |
CCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H17N3O2S/c1-3-4-7-20(18,19)17-11-5-6-13-12(8-11)10(2)14(9-15)16-13/h5-6,8,16-17H,3-4,7H2,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NYTQGHHTLNYRJR-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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37 (20 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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2019-06-12
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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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