UVH
4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde
Created: | 2021-03-23 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 40 |
Chiral Atom Count | 0 |
Bond Count | 41 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde |
Formula | C14 H20 N2 O3 S |
Molecular Weight | 296.385 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
Canonical SMILES | CACTVS | 3.385 | CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | KXGWDCYDOVLUHC-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 155923740 |