4IH
Summary
| Name: | ~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide |
| Formula: | C17 H21 Cl N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 352.879 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21ClN2O2S/c1-23(21,22)20-11-5-10-19-13-14-8-9-16(17(18)12-14)15-6-3-2-4-7-15/h2-4,6-9,12,19-20H,5,10-11,13H2,1H3 |
| InChIKey | InChI | 1.03 | LUZVYKGXPCFBGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCCCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2 |
