Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1N(CCC(C1)NC(=O)c3cc(C2CC2)on3)S(C)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C13H19N3O4S/c1-21(18,19)16-6-4-10(5-7-16)14-13(17)11-8-12(20-15-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,17) |
InChIKey | InChI | 1.03 | KHFWLXQEZOVIGK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 |