84O
Summary
| Name: | methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate |
| Formula: | C14 H18 Cl N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 363.88 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)11(15)8-12(10)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19) |
| InChIKey | InChI | 1.06 | PURDMVQHUYFOQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S(=O)(=O)N |
