Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N5CCC(C4c1ccc(Cl)cc1C(N2CCNCC2)=Cc3cccnc34)CC5)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[S](=O)(=O)N1CCC(CC1)[C@H]2c3ccc(Cl)cc3C(=Cc4cccnc24)N5CCNCC5 |
SMILES | CACTVS | 3.341 | C[S](=O)(=O)N1CCC(CC1)[CH]2c3ccc(Cl)cc3C(=Cc4cccnc24)N5CCNCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)N1CCC(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)N1CCC(CC1)C2c3ccc(cc3C(=Cc4c2nccc4)N5CCNCC5)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)16-21(20)22(28-13-9-26-10-14-28)15-18-3-2-8-27-24(18)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m0/s1 |
InChIKey | InChI | 1.03 | ZMGCFGGMTCMSDP-QHCPKHFHSA-N |