Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C=3C(N(C)C=C(c1c(ccc(c1)NS(C)(=O)=O)Oc2ccccc2)C=3OC)=O |
InChI | InChI | 1.03 | InChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3 |
InChIKey | InChI | 1.03 | RHNWTJMCFPHSQX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC1=CC(=O)N(C)C=C1c2cc(N[S](C)(=O)=O)ccc2Oc3ccccc3 |
SMILES | CACTVS | 3.385 | COC1=CC(=O)N(C)C=C1c2cc(N[S](C)(=O)=O)ccc2Oc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C |