A1IU6
Summary
| Name: | 3-[[(5-cyclobutyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzenesulfonyl fluoride |
| Formula: | C15 H16 F N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 353.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[(5-cyclobutyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzenesulfonyl fluoride |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16FN3O4S/c16-24(21,22)12-6-1-3-10(7-12)9-17-15(20)18-14-8-13(23-19-14)11-4-2-5-11/h1,3,6-8,11H,2,4-5,9H2,(H2,17,18,19,20) |
| InChIKey | InChI | 1.06 | UCNLFXFYUCPVKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | F[S](=O)(=O)c1cccc(CNC(=O)Nc2cc(on2)C3CCC3)c1 |
| SMILES | CACTVS | 3.385 | F[S](=O)(=O)c1cccc(CNC(=O)Nc2cc(on2)C3CCC3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)F)CNC(=O)Nc2cc(on2)C3CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)F)CNC(=O)Nc2cc(on2)C3CCC3 |
