A1DM1
Summary
| Name: | (3R)-3-(4-chlorobenzene-1-sulfonyl)pyrrolidine |
| Formula: | C10 H12 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 245.726 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-3-(4-chlorobenzene-1-sulfonyl)pyrrolidine |
| OpenEye OEToolkits | 3.1.0.0 | (3~{R})-3-(4-chlorophenyl)sulfonylpyrrolidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(c1ccc(Cl)cc1)C1CCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12ClNO2S/c11-8-1-3-9(4-2-8)15(13,14)10-5-6-12-7-10/h1-4,10,12H,5-7H2/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | IJYPYUPBGKMAPY-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)[S](=O)(=O)[C@@H]2CCNC2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1)[S](=O)(=O)[CH]2CCNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1S(=O)(=O)[C@@H]2CCNC2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1S(=O)(=O)C2CCNC2)Cl |
