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67X : Summary
Code ![](/pdbe/static/images/help.png)
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67X
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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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(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-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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C10 H14 N2 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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226.295 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 |
c12NCC(Cc1cccc2S(=O)(N)=O)C |
SMILES
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CACTVS |
3.385 |
C[CH]1CNc2c(C1)cccc2[S](N)(=O)=O |
SMILES
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OpenEye OEToolkits |
2.0.4 |
CC1Cc2cccc(c2NC1)S(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
C[C@H]1CNc2c(C1)cccc2[S](N)(=O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
C[C@@H]1Cc2cccc(c2NC1)S(=O)(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)/t7-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | UVJPSTJAUUZEKC-SSDOTTSWSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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29 (15 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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2016-02-16
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Last modified at ![](/pdbe/static/images/help.png)
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2016-03-18
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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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