Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc2CCN(Cc2n1C(=O)NC(C)C)S(=O)(c3cccs3)=O)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C21H23N3O3S2/c1-15(2)22-21(25)24-18(16-7-4-3-5-8-16)13-17-10-11-23(14-19(17)24)29(26,27)20-9-6-12-28-20/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,22,25) |
InChIKey | InChI | 1.03 | TYBYSTDSEWDDKH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)n1c2CN(CCc2cc1c3ccccc3)[S](=O)(=O)c4sccc4 |
SMILES | CACTVS | 3.385 | CC(C)NC(=O)n1c2CN(CCc2cc1c3ccccc3)[S](=O)(=O)c4sccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)NC(=O)n1c(cc2c1CN(CC2)S(=O)(=O)c3cccs3)c4ccccc4 |