Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCS(=O)(=O)c1cc(c(cc1)OC)C2=CN(C)C(=O)c3c2cc(cc3)c4cn(nc4)C |
InChI | InChI | 1.03 | InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3 |
InChIKey | InChI | 1.03 | VFQXMHYHBXHDCR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)c1ccc(OC)c(c1)C2=CN(C)C(=O)c3ccc(cc23)c4cnn(C)c4 |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)c1ccc(OC)c(c1)C2=CN(C)C(=O)c3ccc(cc23)c4cnn(C)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC |