Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H22N4O5S/c1-14-13-25(21(27)16-3-6-19-15(11-16)7-8-24(19)2)9-10-26(14)32(29,30)17-4-5-18-20(12-17)31-22(28)23-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,23,28)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | RNXDBFXSUVUJIV-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(CCN1[S](=O)(=O)c2ccc3NC(=O)Oc3c2)C(=O)c4ccc5n(C)ccc5c4 |
SMILES | CACTVS | 3.385 | C[CH]1CN(CCN1[S](=O)(=O)c2ccc3NC(=O)Oc3c2)C(=O)c4ccc5n(C)ccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN(CCN1S(=O)(=O)c2ccc3c(c2)OC(=O)N3)C(=O)c4ccc5c(c4)ccn5C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CCN1S(=O)(=O)c2ccc3c(c2)OC(=O)N3)C(=O)c4ccc5c(c4)ccn5C |