Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NCCN(C)C)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,20-21H,11-12H2,1-2H3,(H,22,24)/b17-13- |
InChIKey | InChI | 1.03 | CZOHIJSWNBOVJE-LGMDPLHJSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN(C)CCN[S](=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 |
SMILES | CACTVS | 3.370 | CN(C)CCN[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CN(C)CCNS(=O)(=O)c1ccc(cc1)N/C=C\2/c3ccccc3NC2=O |
SMILES | OpenEye OEToolkits | 1.7.2 | CN(C)CCNS(=O)(=O)c1ccc(cc1)NC=C2c3ccccc3NC2=O |