Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3SC=C(c1cc(c(Cl)cc1)S(=O)(=O)NC2CCCC2)N3 |
InChI | InChI | 1.03 | InChI=1S/C14H15ClN2O3S2/c15-11-6-5-9(12-8-21-14(18)16-12)7-13(11)22(19,20)17-10-3-1-2-4-10/h5-8,10,17H,1-4H2,(H,16,18) |
InChIKey | InChI | 1.03 | PBWTZCXFWIEPCV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1[S](=O)(=O)NC2CCCC2)C3=CSC(=O)N3 |
SMILES | CACTVS | 3.385 | Clc1ccc(cc1[S](=O)(=O)NC2CCCC2)C3=CSC(=O)N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl |