Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c3ccc(C1=NCCc2cc(OC)ccc12)cc3 |
InChI | InChI | 1.03 | InChI=1S/C16H16N2O3S/c1-21-13-4-7-15-12(10-13)8-9-18-16(15)11-2-5-14(6-3-11)22(17,19)20/h2-7,10H,8-9H2,1H3,(H2,17,19,20) |
InChIKey | InChI | 1.03 | RZQVMYVIRNCVDY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2c(CCN=C2c3ccc(cc3)[S](N)(=O)=O)c1 |
SMILES | CACTVS | 3.370 | COc1ccc2c(CCN=C2c3ccc(cc3)[S](N)(=O)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N |