Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N2(CCN(S(c1ccc(cc1C)C)(=O)=O)CC2)C(C)=O |
InChI | InChI | 1.03 | InChI=1S/C14H20N2O3S/c1-11-4-5-14(12(2)10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3 |
InChIKey | InChI | 1.03 | VKTWNRQXKPNSFH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2C |
SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C)S(=O)(=O)N2CCN(CC2)C(=O)C |