9O8
Summary
| Name: | [5-(phenylsulfonylaminomethyl)-2~{H}-1,2,3-triazol-4-yl]methyl ethanoate |
| Formula: | C12 H14 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 310.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [5-(phenylsulfonylaminomethyl)-2~{H}-1,2,3-triazol-4-yl]methyl ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4O4S/c1-9(17)20-8-12-11(14-16-15-12)7-13-21(18,19)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,14,15,16) |
| InChIKey | InChI | 1.03 | GXBLONJHQVMAJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)OCc1n[nH]nc1CN[S](=O)(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)OCc1n[nH]nc1CN[S](=O)(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)OCc1c(n[nH]n1)CNS(=O)(=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)OCc1c(n[nH]n1)CNS(=O)(=O)c2ccccc2 |
