Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H23N3O3S/c1-14-13-22-11-12-26(23,24)21-19(22)18(20-14)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3 |
InChIKey | InChI | 1.03 | PXJBHEHFVQVDDS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN2CC[S](=O)(=O)N=C2C(=N1)c3ccc(OC4CCCCC4)cc3 |
SMILES | CACTVS | 3.385 | CC1=CN2CC[S](=O)(=O)N=C2C(=N1)c3ccc(OC4CCCCC4)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CN2CCS(=O)(=O)N=C2C(=N1)c3ccc(cc3)OC4CCCCC4 |