VZ3
Summary
| Name: | 3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide |
| Formula: | C8 H10 Br N O3 S |
| Formal charge: | 0 |
| Formula weight: | 280.139 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 3-bromanyl-4-methoxy-~{N}-methyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1Br)S(=O)(=O)NC |
| InChI | InChI | 1.06 | InChI=1S/C8H10BrNO3S/c1-10-14(11,12)6-3-4-8(13-2)7(9)5-6/h3-5,10H,1-2H3 |
| InChIKey | InChI | 1.06 | UCLZQLJVIIOZHG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc(OC)c(Br)c1 |
| SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1ccc(OC)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1ccc(c(c1)Br)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1ccc(c(c1)Br)OC |
