7M6
7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
Created: | 2016-11-18 |
Last modified: | 2017-04-12 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide |
Systematic Name (OpenEye OEToolkits) | 7-chloranyl-4-(2-fluoranylethyl)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
Formula | C9 H10 Cl F N2 O2 S |
Molecular Weight | 264.704 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | FCCN1CN[S](=O)(=O)c2cc(Cl)ccc12 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF |
Canonical SMILES | CACTVS | 3.385 | FCCN1CN[S](=O)(=O)c2cc(Cl)ccc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF |
InChI | InChI | 1.03 | InChI=1S/C9H10ClFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2 |
InChIKey | InChI | 1.03 | PDYLKRWZXXTAQJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 11161396 |
ChEMBL | CHEMBL581906 |