Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3ccc(cc3)C |
InChI | InChI | 1.03 | InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+ |
InChIKey | InChI | 1.03 | BOVGTQGAOIONJV-BETUJISGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2 |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2C[CH]3CCC[CH]3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 |