Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1sc3c(c1)C(O)CN(Cc2sccc2)S3(=O)=O)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1sc2c(c1)[C@@H](O)CN(Cc3sccc3)[S]2(=O)=O |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1sc2c(c1)[CH](O)CN(Cc3sccc3)[S]2(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)C[N@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)CN2CC(c3cc(sc3S2(=O)=O)S(=O)(=O)N)O |
InChI | InChI | 1.03 | InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | HHPUQNGRNUOYCD-VIFPVBQESA-N |