PV2
Summary
| Name: | 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol |
| Formula: | C14 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 291.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1,3-dihydro-2H-isoindol-2-ylsulfonyl)benzene-1,3-diol |
| OpenEye OEToolkits | 1.7.6 | 4-(1,3-dihydroisoindol-2-ylsulfonyl)benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccc(O)cc1O)N3Cc2ccccc2C3 |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO4S/c16-12-5-6-14(13(17)7-12)20(18,19)15-8-10-3-1-2-4-11(10)9-15/h1-7,16-17H,8-9H2 |
| InChIKey | InChI | 1.03 | GBZLIDQSMMVGSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccccc3C2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O |
