Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F |
InChI | InChI | 1.03 | InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20) |
InChIKey | InChI | 1.03 | WDVWTPNEVTYLQC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCc1cc(ccc1Oc2ccc(F)c(Cl)c2)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | NCCc1cc(ccc1Oc2ccc(F)c(Cl)c2)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F |