Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S2(=O)c1cnnc1c4c(N2C)ccc(c3ccc(cc3)CC)c4 |
InChI | InChI | 1.03 | InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20) |
InChIKey | InChI | 1.03 | ISXAVIPPPMJTPN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1ccc(cc1)c2ccc3N(C)[S](=O)(=O)c4c[nH]nc4c3c2 |
SMILES | CACTVS | 3.370 | CCc1ccc(cc1)c2ccc3N(C)[S](=O)(=O)c4c[nH]nc4c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C |