Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=S(=O)(c1ncc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc2[nH]c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(C)cn3 |
SMILES | CACTVS | 3.352 | COc1ccc2[nH]c(cc2c1)C(=O)N[S](=O)(=O)c3ccc(C)cn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC |
InChI | InChI | 1.03 | InChI=1S/C16H15N3O4S/c1-10-3-6-15(17-9-10)24(21,22)19-16(20)14-8-11-7-12(23-2)4-5-13(11)18-14/h3-9,18H,1-2H3,(H,19,20) |
InChIKey | InChI | 1.03 | ZKUFSBNJBIOKLO-UHFFFAOYSA-N |