Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | ON1C(C(=C(CSS(=O)(=O)C)C1(C)C)c2ccccc2)(C)C |
InChI | InChI | 1.03 | InChI=1S/C16H23NO3S2/c1-15(2)13(11-21-22(5,19)20)14(16(3,4)17(15)18)12-9-7-6-8-10-12/h6-10,18H,11H2,1-5H3 |
InChIKey | InChI | 1.03 | ZXJJZPNUOZSZBU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)N([O])C(C)(C)C(=C1CS[S](C)(=O)=O)c2ccccc2 |
SMILES | CACTVS | 3.370 | CC1(C)N([O])C(C)(C)C(=C1CS[S](C)(=O)=O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(C(=C(C(N1[O])(C)C)c2ccccc2)CSS(=O)(=O)C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(C(=C(C(N1[O])(C)C)c2ccccc2)CSS(=O)(=O)C)C |