A1IV3
Summary
| Name: | N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide |
| Formula: | C23 H31 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 429.576 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R},2~{R})-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3/t20-,21-/m1/s1 |
| InChIKey | InChI | 1.06 | OVTXOMMQHRIKGL-NHCUHLMSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1N2CCN(CC2)[C@@H]3CCCC[C@H]3N[S](=O)(=O)c4ccccc4 |
| SMILES | CACTVS | 3.385 | COc1ccccc1N2CCN(CC2)[CH]3CCCC[CH]3N[S](=O)(=O)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1N2CCN(CC2)[C@@H]3CCCC[C@H]3NS(=O)(=O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1N2CCN(CC2)C3CCCCC3NS(=O)(=O)c4ccccc4 |
