UHQ
4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
Created: | 2021-02-23 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 40 |
Chiral Atom Count | 0 |
Bond Count | 41 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde |
Formula | C14 H20 N2 O3 S |
Molecular Weight | 296.385 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
Canonical SMILES | CACTVS | 3.385 | CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
InChI | InChI | 1.03 | InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3 |
InChIKey | InChI | 1.03 | ULLUZZQSRUXOKA-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155923732 |