Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2C=C(N=C(SCC(=O)c1ccc(c(Cl)c1)S(=O)(=O)N)N2)C |
InChI | InChI | 1.03 | InChI=1S/C13H12ClN3O4S2/c1-7-4-12(19)17-13(16-7)22-6-10(18)8-2-3-11(9(14)5-8)23(15,20)21/h2-5H,6H2,1H3,(H2,15,20,21)(H,16,17,19) |
InChIKey | InChI | 1.03 | JGNLEKQOGRGZBT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(Cl)c2)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(Cl)c2)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N |