Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H23N3O4S/c1-15(24)23-12-11-22(14-18(23)13-16-5-3-2-4-6-16)20(25)17-7-9-19(10-8-17)28(21,26)27/h2-10,18H,11-14H2,1H3,(H2,21,26,27)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | YHSOVHWCSACWJK-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CC(=O)N1CCN(C[CH]1Cc2ccccc2)C(=O)c3ccc(cc3)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N |