Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1ccc(cc1)Nc3nccc(Oc2ccc(nc2C)C)c3 |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1ccc(Oc2ccnc(Nc3ccc(cc3)[S](N)(=O)=O)c2)c(C)n1 |
SMILES | CACTVS | 3.352 | Cc1ccc(Oc2ccnc(Nc3ccc(cc3)[S](N)(=O)=O)c2)c(C)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.6.1 | Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24) |
InChIKey | InChI | 1.03 | UEOZXMAOIHDDQE-UHFFFAOYSA-N |