UGQ
Summary
| Name: | 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline |
| Formula: | C16 H17 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 287.377 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)17-11-10-14-4-2-3-5-15(14)12-17/h2-9H,10-12H2,1H3 |
| InChIKey | InChI | 1.03 | ABXZGZXVLBYJDK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2 |
