A1AU7
Summary
| Name: | 2-(3-fluoropropoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide |
| Formula: | C16 H19 F N4 O5 S |
| Formal charge: | 0 |
| Formula weight: | 398.409 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-fluoropropoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(3-fluoranylpropoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-pyrimidin-2-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nc(C)cc(OC)n1)NS(=O)(=O)c1ccccc1OCCCF |
| InChI | InChI | 1.06 | InChI=1S/C16H19FN4O5S/c1-11-10-14(25-2)19-15(18-11)20-16(22)21-27(23,24)13-7-4-3-6-12(13)26-9-5-8-17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,18,19,20,21,22) |
| InChIKey | InChI | 1.06 | YPVHDUAVXIICMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCCF)n1 |
| SMILES | CACTVS | 3.385 | COc1cc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2OCCCF)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2OCCCF)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2OCCCF)OC |
