UGN

1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine

Created: 2021-02-17
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count45
Aromatic Bond Count6
2D diagram of UGN

Chemical Component Summary

Name1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
Systematic Name (OpenEye OEToolkits)1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
FormulaC15 H24 N2 O2 S
Molecular Weight296.428
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C
Canonical SMILESCACTVS3.385 CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C
InChIInChI1.03 InChI=1S/C15H24N2O2S/c1-13(2)12-16-8-10-17(11-9-16)20(18,19)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyInChI1.03 VDISKSVXKJQHCZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 113072895