Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c3ccc(NS(=O)(=O)c2c1ncccc1ccc2)cc3)N5CCN(c4nccnc4)CC5 |
InChI | InChI | 1.03 | InChI=1S/C24H22N6O3S/c31-24(30-15-13-29(14-16-30)22-17-25-11-12-26-22)19-6-8-20(9-7-19)28-34(32,33)21-5-1-3-18-4-2-10-27-23(18)21/h1-12,17,28H,13-16H2 |
InChIKey | InChI | 1.03 | BNGHGURIVRPDJB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C(N1CCN(CC1)c2cnccn2)c3ccc(N[S](=O)(=O)c4cccc5cccnc45)cc3 |
SMILES | CACTVS | 3.370 | O=C(N1CCN(CC1)c2cnccn2)c3ccc(N[S](=O)(=O)c4cccc5cccnc45)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5 |