Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc2c(cc1)cc(cc2)S(=O)(=O)NCC3CCCN(C3)Cc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C23H26N2O2S/c26-28(27,23-13-12-21-10-4-5-11-22(21)15-23)24-16-20-9-6-14-25(18-20)17-19-7-2-1-3-8-19/h1-5,7-8,10-13,15,20,24H,6,9,14,16-18H2/t20-/m0/s1 |
InChIKey | InChI | 1.03 | LOOROLBHYLIWTF-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(NC[C@@H]1CCCN(C1)Cc2ccccc2)c3ccc4ccccc4c3 |
SMILES | CACTVS | 3.385 | O=[S](=O)(NC[CH]1CCCN(C1)Cc2ccccc2)c3ccc4ccccc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2CCC[C@H](C2)CNS(=O)(=O)c3ccc4ccccc4c3 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2CCCC(C2)CNS(=O)(=O)c3ccc4ccccc4c3 |