UVH

4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde

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

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count41
Aromatic Bond Count6
2D diagram of UVH

Chemical Component Summary

Name4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
Systematic Name (OpenEye OEToolkits)4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
FormulaC14 H20 N2 O3 S
Molecular Weight296.385
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
SMILESOpenEye OEToolkits2.0.7CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O
Canonical SMILESCACTVS3.385 CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O
InChIInChI1.03 InChI=1S/C14H20N2O3S/c1-12(2)15-7-9-16(10-8-15)20(18,19)14-5-3-13(11-17)4-6-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyInChI1.03 KXGWDCYDOVLUHC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155923740