Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(=O)N(CC3)CC5(\C=N\O)CCN(c4ccncc4)CC5 |
SMILES_CANONICAL | CACTVS | 3.341 | O/N=C/C1(CCN(CC1)c2ccncc2)CN3CCN(CC3=O)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4 |
SMILES | CACTVS | 3.341 | ON=CC1(CCN(CC1)c2ccncc2)CN3CCN(CC3=O)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)[N@]3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)C=NO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(C(=O)C3)CC4(CCN(CC4)c5ccncc5)C=NO |
InChI | InChI | 1.03 | InChI=1S/C26H28ClN5O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)37(35,36)32-14-13-31(25(33)17-32)19-26(18-29-34)7-11-30(12-8-26)23-5-9-28-10-6-23/h1-6,9-10,15-16,18,34H,7-8,11-14,17,19H2/b29-18+ |
InChIKey | InChI | 1.03 | UELXXBOTHARRQL-RDRPBHBLSA-N |