F1M
Summary
| Name: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide |
| Synonyms: | N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide |
| Formula: | C24 H32 Cl N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 526.045 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide |
| OpenEye OEToolkits | 1.5.0 | N-[1-[(5-chloro-3-methoxy-2-propan-2-yloxy-phenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenoxy)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(Cl)cc(CN2CCC(CC2)NC(=O)COc3ccc(cc3)[S](N)(=O)=O)c1OC(C)C |
| SMILES | CACTVS | 3.341 | COc1cc(Cl)cc(CN2CCC(CC2)NC(=O)COc3ccc(cc3)[S](N)(=O)=O)c1OC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(CC2)NC(=O)COc3ccc(cc3)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)Oc1c(cc(cc1OC)Cl)CN2CCC(CC2)NC(=O)COc3ccc(cc3)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C24H32ClN3O6S/c1-16(2)34-24-17(12-18(25)13-22(24)32-3)14-28-10-8-19(9-11-28)27-23(29)15-33-20-4-6-21(7-5-20)35(26,30)31/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,27,29)(H2,26,30,31) |
| InChIKey | InChI | 1.03 | QVZLZLJHCAPQQC-UHFFFAOYSA-N |
