R83
Summary
| Name: | N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide |
| Formula: | C22 H29 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 447.548 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,4-dimethoxy-5-{[2-(piperidin-1-yl)benzyl]sulfamoyl}phenyl)acetamide |
| OpenEye OEToolkits | 1.9.2 | N-[2,4-dimethoxy-5-[(2-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc(c(OC)cc1OC)S(=O)(=O)NCc2ccccc2N3CCCCC3)C |
| InChI | InChI | 1.03 | InChI=1S/C22H29N3O5S/c1-16(26)24-18-13-22(21(30-3)14-20(18)29-2)31(27,28)23-15-17-9-5-6-10-19(17)25-11-7-4-8-12-25/h5-6,9-10,13-14,23H,4,7-8,11-12,15H2,1-3H3,(H,24,26) |
| InChIKey | InChI | 1.03 | LDJDHSINBFNMFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)c(cc1NC(C)=O)[S](=O)(=O)NCc2ccccc2N3CCCCC3 |
| SMILES | CACTVS | 3.385 | COc1cc(OC)c(cc1NC(C)=O)[S](=O)(=O)NCc2ccccc2N3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3 |
