Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c2ccc(N1C=CCC1=O)cc2)N3C(C)CCCC3 |
InChI | InChI | 1.03 | InChI=1S/C16H20N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h4,7-11,13H,2-3,5-6,12H2,1H3/t13-/m1/s1 |
InChIKey | InChI | 1.03 | MCVNUKURBWEELF-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]1CCCCN1[S](=O)(=O)c2ccc(cc2)N3C=CCC3=O |
SMILES | CACTVS | 3.370 | C[CH]1CCCCN1[S](=O)(=O)c2ccc(cc2)N3C=CCC3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O |