Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(O)cc(c1S(=O)(N2Cc3ccc(cc3C2)NC4CCNCC4)=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H23N3O4S/c23-17-3-4-19(18(24)10-17)27(25,26)22-11-13-1-2-16(9-14(13)12-22)21-15-5-7-20-8-6-15/h1-4,9-10,15,20-21,23-24H,5-8,11-12H2 |
InChIKey | InChI | 1.03 | HQHMYMINMCVYMC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccc(NC4CCNCC4)cc3C2 |
SMILES | CACTVS | 3.385 | Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccc(NC4CCNCC4)cc3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O |