Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H2,15,19,20)(H,16,17,18) |
InChIKey | InChI | 1.03 | OMUIDCNIRWVPSK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N |