Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1c2cccc(S(NCCCCCCC(=O)O)(=O)=O)c2ccc1 |
InChI | InChI | 1.03 | InChI=1S/C17H20ClNO4S/c18-15-9-5-8-14-13(15)7-6-10-16(14)24(22,23)19-12-4-2-1-3-11-17(20)21/h5-10,19H,1-4,11-12H2,(H,20,21) |
InChIKey | InChI | 1.03 | MGDCSPFNRAHLFD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 |
SMILES | CACTVS | 3.385 | OC(=O)CCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O |