Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(O)c3ccc2cc(\N=C1/C=CCC=C1)ccc2c3 |
SMILES_CANONICAL | CACTVS | 3.352 | O[S](=O)(=O)c1ccc2cc(ccc2c1)N=C3C=CCC=C3 |
SMILES | CACTVS | 3.352 | O[S](=O)(=O)c1ccc2cc(ccc2c1)N=C3C=CCC=C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3 |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3 |
InChI | InChI | 1.03 | InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h2-11H,1H2,(H,18,19,20) |
InChIKey | InChI | 1.03 | WXUMRSOAQINBNG-UHFFFAOYSA-N |