Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c2cc1c(NC(=O)N(C)C1)cc2)N3CCCC3 |
InChI | InChI | 1.03 | InChI=1S/C13H17N3O3S/c1-15-9-10-8-11(4-5-12(10)14-13(15)17)20(18,19)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17) |
InChIKey | InChI | 1.03 | JPBCSPCBFLTTPI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1Cc2cc(ccc2NC1=O)[S](=O)(=O)N3CCCC3 |
SMILES | CACTVS | 3.370 | CN1Cc2cc(ccc2NC1=O)[S](=O)(=O)N3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3 |