Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H18N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,18,20-21H,1-3H2,(H2,19,22,23)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | YMXRDHIBABQPGR-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2N[C@H](C3=C(CCC3)c2c1)c4ccc(O)cc4 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2N[CH](C3=C(CCC3)c2c1)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@H]2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2C3=C(CCC3)c4cc(ccc4N2)S(=O)(=O)N)O |