UGN
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
Created: | 2021-02-17 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 44 |
Chiral Atom Count | 0 |
Bond Count | 45 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine |
Systematic Name (OpenEye OEToolkits) | 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine |
Formula | C15 H24 N2 O2 S |
Molecular Weight | 296.428 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C |
Canonical SMILES | CACTVS | 3.385 | CC(C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | VDISKSVXKJQHCZ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 113072895 |