Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | S(C(c1cc(O)ccc1)(c2ccccc2)c3cccc(c3)CC)CCN |
InChI | InChI | 1.03 | InChI=1S/C23H25NOS/c1-2-18-8-6-11-20(16-18)23(26-15-14-24,19-9-4-3-5-10-19)21-12-7-13-22(25)17-21/h3-13,16-17,25H,2,14-15,24H2,1H3/t23-/m1/s1 |
InChIKey | InChI | 1.03 | LKEJFEOGGYEWTI-HSZRJFAPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cccc(c1)[C@](SCCN)(c2ccccc2)c3cccc(O)c3 |
SMILES | CACTVS | 3.385 | CCc1cccc(c1)[C](SCCN)(c2ccccc2)c3cccc(O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1cccc(c1)[C@](c2ccccc2)(c3cccc(c3)O)SCCN |
SMILES | OpenEye OEToolkits | 1.9.2 | CCc1cccc(c1)C(c2ccccc2)(c3cccc(c3)O)SCCN |