JCB
Summary
| Name: | N-(P-TOLUENESULFONYL)-INDOLE |
| Formula: | C15 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 271.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(4-methylphenyl)sulfonyl]-1H-indole |
| OpenEye OEToolkits | 1.5.0 | 1-(4-methylphenyl)sulfonylindole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(cc1)C)n3c2ccccc2cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(cc1)[S](=O)(=O)n2ccc3ccccc23 |
| SMILES | CACTVS | 3.341 | Cc1ccc(cc1)[S](=O)(=O)n2ccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3 |
| InChIKey | InChI | 1.03 | JNRRPYFLDADLJW-UHFFFAOYSA-N |
