Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(NS(=O)(=O)N)ccc1Oc3c2ccc(OC)cc2ncc3 |
InChI | InChI | 1.03 | InChI=1S/C16H15N3O4S/c1-22-13-6-7-14-15(10-13)18-9-8-16(14)23-12-4-2-11(3-5-12)19-24(17,20)21/h2-10,19H,1H3,(H2,17,20,21) |
InChIKey | InChI | 1.03 | YDPVHBWULHMYJX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2c(Oc3ccc(N[S](N)(=O)=O)cc3)ccnc2c1 |
SMILES | CACTVS | 3.385 | COc1ccc2c(Oc3ccc(N[S](N)(=O)=O)cc3)ccnc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(ccnc2c1)Oc3ccc(cc3)NS(=O)(=O)N |