A1IRN
Summary
| Name: | ~{N}-[(4-cyano-3-cyclopropyl-phenyl)methyl]-4-methyl-benzenesulfonamide |
| Formula: | C18 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 326.413 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-cyano-3-cyclopropyl-phenyl)methyl]-4-methyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H18N2O2S/c1-13-2-8-17(9-3-13)23(21,22)20-12-14-4-5-16(11-19)18(10-14)15-6-7-15/h2-5,8-10,15,20H,6-7,12H2,1H3 |
| InChIKey | InChI | 1.06 | VUDOMXANWQBNKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)NCc2ccc(C#N)c(c2)C3CC3 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)NCc2ccc(C#N)c(c2)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)NCc2ccc(c(c2)C3CC3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)NCc2ccc(c(c2)C3CC3)C#N |
