VNC
Summary
| Name: | methyl N-(benzenesulfonyl)-N-methylglycinate |
| Formula: | C10 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 243.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl N-(benzenesulfonyl)-N-methylglycinate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[methyl(phenylsulfonyl)amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N(C)CC(=O)OC)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H13NO4S/c1-11(8-10(12)15-2)16(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChIKey | InChI | 1.06 | LGGYBAUTKKAFGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CN(C)[S](=O)(=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | COC(=O)CN(C)[S](=O)(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)OC)S(=O)(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)OC)S(=O)(=O)c1ccccc1 |
