Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(n2cc1ccncc1c2)NCc3ccc(cc3)S(=O)(=O)C5CCN(C4CCOCC4)CC5 |
InChI | InChI | 1.03 | InChI=1S/C25H30N4O4S/c30-25(29-17-20-5-10-26-16-21(20)18-29)27-15-19-1-3-23(4-2-19)34(31,32)24-6-11-28(12-7-24)22-8-13-33-14-9-22/h1-5,10,16-18,22,24H,6-9,11-15H2,(H,27,30) |
InChIKey | InChI | 1.03 | MQRGBJFQXJYKOD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(NCc1ccc(cc1)[S](=O)(=O)C2CCN(CC2)C3CCOCC3)n4cc5ccncc5c4 |
SMILES | CACTVS | 3.370 | O=C(NCc1ccc(cc1)[S](=O)(=O)C2CCN(CC2)C3CCOCC3)n4cc5ccncc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5 |