A1IBD
Summary
| Name: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
| Formula: | C10 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 228.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | IDMMCFWFSJXQMU-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)CN[S](=O)(=O)c1ccc(C)cc1 |
| SMILES | CACTVS | 3.385 | C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)NC[C@H](C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)NCC(C)N |
