QD2
Summary
| Name: | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide |
| Formula: | C22 H29 N5 O5 S |
| Formal charge: | 0 |
| Formula weight: | 475.561 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H29N5O5S/c1-23-33(29,30)20-13-17(14-24-22(20)31-3)27-10-11-32-19-5-4-15(12-18(19)27)21(28)25-16-6-8-26(2)9-7-16/h4-5,12-14,16,23H,6-11H2,1-3H3,(H,25,28) |
| InChIKey | InChI | 1.03 | NNWATAZUOWDGHZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1cc(cnc1OC)N2CCOc3ccc(cc23)C(=O)NC4CCN(C)CC4 |
| SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1cc(cnc1OC)N2CCOc3ccc(cc23)C(=O)NC4CCN(C)CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C(=O)NC4CCN(CC4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1cc(cnc1OC)N2CCOc3c2cc(cc3)C(=O)NC4CCN(CC4)C |
