99U
Summary
| Name: | 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one |
| Formula: | C17 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 330.401 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O3S/c1-2-19-14-8-9-15(23(21,22)18-10-3-4-11-18)12-6-5-7-13(16(12)14)17(19)20/h5-9H,2-4,10-11H2,1H3 |
| InChIKey | InChI | 1.03 | HTONIJRZZRKKQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCCC4 |
| SMILES | CACTVS | 3.385 | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC4 |
