Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1ccc(cc1)C(=O)NCC(C)Cn3c2ccccc2cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)Cn2ccc3ccccc23 |
SMILES | CACTVS | 3.341 | C[CH](CNC(=O)c1ccc(cc1)[S](N)(=O)=O)Cn2ccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O3S/c1-14(13-22-11-10-15-4-2-3-5-18(15)22)12-21-19(23)16-6-8-17(9-7-16)26(20,24)25/h2-11,14H,12-13H2,1H3,(H,21,23)(H2,20,24,25)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | ZFWHOUCRVSOZJE-AWEZNQCLSA-N |