Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc4cccc(N3C1(CCN(C(C)C1)Cc2cccc(OC(C)C)c2)CN(C)S3(=O)=O)c4 |
InChI | InChI | 1.03 | InChI=1S/C24H32FN3O3S/c1-18(2)31-23-10-5-7-20(13-23)16-27-12-11-24(15-19(27)3)17-26(4)32(29,30)28(24)22-9-6-8-21(25)14-22/h5-10,13-14,18-19H,11-12,15-17H2,1-4H3/t19-,24+/m0/s1 |
InChIKey | InChI | 1.03 | CVPXZTQJPHYLAQ-YADARESESA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)Oc1cccc(CN2CC[C@@]3(C[C@@H]2C)CN(C)[S](=O)(=O)N3c4cccc(F)c4)c1 |
SMILES | CACTVS | 3.370 | CC(C)Oc1cccc(CN2CC[C]3(C[CH]2C)CN(C)[S](=O)(=O)N3c4cccc(F)c4)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1CC2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C |