SBW
N-(3-hydroxybenzyl)-4-sulfamoylbenzamide
Created: | 2013-09-24 |
Last modified: | 2013-12-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 0 |
Bond Count | 36 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | N-(3-hydroxybenzyl)-4-sulfamoylbenzamide |
Systematic Name (OpenEye OEToolkits) | N-[(3-hydroxyphenyl)methyl]-4-sulfamoyl-benzamide |
Formula | C14 H14 N2 O4 S |
Molecular Weight | 306.337 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c2ccc(C(=O)NCc1cccc(O)c1)cc2 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(O)c2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N |
Canonical SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(O)c2 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C14H14N2O4S/c15-21(19,20)13-6-4-11(5-7-13)14(18)16-9-10-2-1-3-12(17)8-10/h1-8,17H,9H2,(H,16,18)(H2,15,19,20) |
InChIKey | InChI | 1.03 | JHOGRPZBQMWATN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 72193922 |