Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NC)c2ccc1c(c(ccc1)CCNC(=O)C)c2 |
SMILES_CANONICAL | CACTVS | 3.370 | CN[S](=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1 |
SMILES | CACTVS | 3.370 | CN[S](=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC |
InChI | InChI | 1.03 | InChI=1S/C15H18N2O3S/c1-11(18)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)21(19,20)16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18) |
InChIKey | InChI | 1.03 | LMMCCCKILDSFAH-UHFFFAOYSA-N |