DWH
Summary
| Name: | methyl N-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate |
| Formula: | C12 H13 Cl N6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 372.787 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl N-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate |
| OpenEye OEToolkits | 1.7.0 | methyl 2-[[4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl]amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1nc(nc(n1)NCC(=O)OC)Nc2ccc(cc2)S(=O)(=O)N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)CNc1nc(Cl)nc(Nc2ccc(cc2)[S](N)(=O)=O)n1 |
| SMILES | CACTVS | 3.370 | COC(=O)CNc1nc(Cl)nc(Nc2ccc(cc2)[S](N)(=O)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H13ClN6O4S/c1-23-9(20)6-15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,21)22/h2-5H,6H2,1H3,(H2,14,21,22)(H2,15,16,17,18,19) |
| InChIKey | InChI | 1.03 | UKXSOQVHRHLCDQ-UHFFFAOYSA-N |
