WL7
Summary
| Name: | 4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide |
| Formula: | C9 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 230.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-~{N}-(2-hydroxyethyl)-~{N}-methyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(c1)N)S(N(C)CCO)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3 |
| InChIKey | InChI | 1.03 | IFBDYRCQPHERQI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)[S](=O)(=O)c1ccc(N)cc1 |
| SMILES | CACTVS | 3.385 | CN(CCO)[S](=O)(=O)c1ccc(N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCO)S(=O)(=O)c1ccc(cc1)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCO)S(=O)(=O)c1ccc(cc1)N |
