Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3 |
InChIKey | InChI | 1.06 | AYJRTVVIBJSSKN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1nc(on1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1nc(on1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)S(=O)(=O)C |