Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S2(=O)c1cnn(c1c4c(N2C)ccc(c3ccc(cc3)CC)c4)CC |
InChI | InChI | 1.03 | InChI=1S/C20H21N3O2S/c1-4-14-6-8-15(9-7-14)16-10-11-18-17(12-16)20-19(13-21-23(20)5-2)26(24,25)22(18)3/h6-13H,4-5H2,1-3H3 |
InChIKey | InChI | 1.03 | LWMFYSSKMYKGNI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCn1ncc2c1c3cc(ccc3N(C)[S]2(=O)=O)c4ccc(CC)cc4 |
SMILES | CACTVS | 3.370 | CCn1ncc2c1c3cc(ccc3N(C)[S]2(=O)=O)c4ccc(CC)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCc1ccc(cc1)c2ccc3c(c2)-c4c(cnn4CC)S(=O)(=O)N3C |