UWH
4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
Created: | 2021-03-23 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 41 |
Chiral Atom Count | 0 |
Bond Count | 42 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde |
Formula | C14 H20 N2 O4 S |
Molecular Weight | 312.385 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COCCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
Canonical SMILES | CACTVS | 3.385 | COCCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
InChI | InChI | 1.03 | InChI=1S/C14H20N2O4S/c1-20-11-10-15-6-8-16(9-7-15)21(18,19)14-4-2-13(12-17)3-5-14/h2-5,12H,6-11H2,1H3 |
InChIKey | InChI | 1.03 | BLJXFQSWMIPUOV-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155923746 |