Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2cc(Cl)ccc2n3)CC4)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N1CC[C@H](N[S](=O)(=O)c2[nH]c3ccc(Cl)cc3c2)C1=O)C(=O)N4CCOCC4 |
SMILES | CACTVS | 3.341 | C[CH](N1CC[CH](N[S](=O)(=O)c2[nH]c3ccc(Cl)cc3c2)C1=O)C(=O)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10-12,16,21-22H,4-9H2,1H3/t12-,16-/m0/s1 |
InChIKey | InChI | 1.03 | BHNMMFGOJRIAEZ-LRDDRELGSA-N |