UG8
4-piperidin-1-ylsulfonylbenzaldehyde
Created: | 2021-02-16 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 33 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-piperidin-1-ylsulfonylbenzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-piperidin-1-ylsulfonylbenzaldehyde |
Formula | C12 H15 N O3 S |
Molecular Weight | 253.317 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2 |
Canonical SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCCC2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2 |
InChI | InChI | 1.03 | InChI=1S/C12H15NO3S/c14-10-11-4-6-12(7-5-11)17(15,16)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2 |
InChIKey | InChI | 1.03 | KUSDDEPOUVZOCG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 21051090 |