Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H20ClN5O4S/c1-13-16(22(29)27-33(30,31)28(2)3)11-17(15-6-7-26-21(13)15)14-4-5-18(23)19(10-14)32-20-12-24-8-9-25-20/h4-12,26H,1-3H3,(H,27,29) |
InChIKey | InChI | 1.06 | ZCEDSBRRQLSVCI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)c(Oc3cnccn3)c2)c4cc[nH]c4c1C |
SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)c(Oc3cnccn3)c2)c4cc[nH]c4c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4cnccn4)Cl)C(=O)NS(=O)(=O)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2c1[nH]cc2)c3ccc(c(c3)Oc4cnccn4)Cl)C(=O)NS(=O)(=O)N(C)C |