J8I
Summary
| Name: | ~{N}-phenyl-~{N}-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide |
| Formula: | C22 H29 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 415.549 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-phenyl-~{N}-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H29N3O3S/c1-2-22(26)25(19-6-4-3-5-7-19)20-13-16-24(17-14-20)15-12-18-8-10-21(11-9-18)29(23,27)28/h3-11,20H,2,12-17H2,1H3,(H2,23,27,28) |
| InChIKey | InChI | 1.06 | MEXZVHOUPRKREA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(C1CCN(CC1)CCc2ccc(cc2)[S](N)(=O)=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CCC(=O)N(C1CCN(CC1)CCc2ccc(cc2)[S](N)(=O)=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccc(cc3)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccc(cc3)S(=O)(=O)N |
