Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC)c1cc(ccc1)S(=O)(=O)N3Cc2c(cccc2)CC3 |
InChI | InChI | 1.03 | InChI=1S/C17H18N2O3S/c1-18-17(20)14-7-4-8-16(11-14)23(21,22)19-10-9-13-5-2-3-6-15(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20) |
InChIKey | InChI | 1.03 | PBBCJGRZQLBCCD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CNC(=O)c1cccc(c1)[S](=O)(=O)N2CCc3ccccc3C2 |
SMILES | CACTVS | 3.370 | CNC(=O)c1cccc(c1)[S](=O)(=O)N2CCc3ccccc3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2 |