UWH

4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde

Created: 2021-03-23
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count42
Aromatic Bond Count6
2D diagram of UWH

Chemical Component Summary

Name4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
Systematic Name (OpenEye OEToolkits)4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
FormulaC14 H20 N2 O4 S
Molecular Weight312.385
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COCCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
SMILESOpenEye OEToolkits2.0.7COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O
Canonical SMILESCACTVS3.385 COCCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
Canonical SMILESOpenEye OEToolkits2.0.7 COCCN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O
InChIInChI1.03 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
InChIKeyInChI1.03 BLJXFQSWMIPUOV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155923746