21K
N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Created: | 2013-08-19 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 45 |
Chiral Atom Count | 0 |
Bond Count | 46 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethanesulfonamide |
Systematic Name (OpenEye OEToolkits) | N-[1-[2-[(2,4-dichlorophenyl)amino]ethanoyl]piperidin-4-yl]ethanesulfonamide |
Formula | C15 H21 Cl2 N3 O3 S |
Molecular Weight | 394.317 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2ccc(Cl)cc2Cl |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(Cl)cc2Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl |
Canonical SMILES | CACTVS | 3.385 | CC[S](=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(Cl)cc2Cl |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H21Cl2N3O3S/c1-2-24(22,23)19-12-5-7-20(8-6-12)15(21)10-18-14-4-3-11(16)9-13(14)17/h3-4,9,12,18-19H,2,5-8,10H2,1H3 |
InChIKey | InChI | 1.03 | QFWUINADTOYHEQ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 137348018 |