Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCOCCOCCNC(=O)C35CC4CC(CC(C3)C4)C5 |
SMILES_CANONICAL | CACTVS | 3.370 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCOCCOCCNC(=O)[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4 |
SMILES | CACTVS | 3.370 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCOCCOCCNC(=O)[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4 |
InChI | InChI | 1.03 | InChI=1S/C29H41N3O5S/c1-32(2)26-7-3-6-25-24(26)5-4-8-27(25)38(34,35)31-10-12-37-14-13-36-11-9-30-28(33)29-18-21-15-22(19-29)17-23(16-21)20-29/h3-8,21-23,31H,9-20H2,1-2H3,(H,30,33)/t21-,22+,23-,29- |
InChIKey | InChI | 1.03 | BPWBIQJYXZSEKW-SJNZTUBNSA-N |