Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCCN1CCC(C1)CSc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C32H36N2O2S/c1-2-17-33-18-14-23(21-33)22-37-28-11-8-24(9-12-28)30-29-13-10-27(35)19-26(29)20-32(15-16-32)34(30)31(36)25-6-4-3-5-7-25/h3-13,19,23,30,35H,2,14-18,20-22H2,1H3/t23-,30+/m0/s1 |
InChIKey | InChI | 1.06 | FFOWVMHPRGKVKO-YUDQIZAISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCN1CC[C@H](CSc2ccc(cc2)[C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1 |
SMILES | CACTVS | 3.385 | CCCN1CC[CH](CSc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN1CC[C@@H](C1)CSc2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCN1CCC(C1)CSc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |