RZG
methyl 4-sulfamoylbenzoate
Created: | 2020-03-03 |
Last modified: | 2020-03-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | methyl 4-sulfamoylbenzoate |
Systematic Name (OpenEye OEToolkits) | methyl 4-sulfamoylbenzoate |
Formula | C8 H9 N O4 S |
Molecular Weight | 215.226 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COC(=O)c1ccc(cc1)[S](N)(=O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(cc1)S(=O)(=O)N |
Canonical SMILES | CACTVS | 3.385 | COC(=O)c1ccc(cc1)[S](N)(=O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(cc1)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C8H9NO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12) |
InChIKey | InChI | 1.03 | XLOVNJUCAFIANM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 89847 |
ChEMBL | CHEMBL148763 |