SBF
Summary
| Name: | N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide |
| Formula: | C32 H47 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 553.799 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide |
| OpenEye OEToolkits | 1.7.0 | 2-(1-adamantyl)-N-[8-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]octyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)CC35CC4CC(CC(C3)C4)C5 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCNC(=O)C[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4 |
| SMILES | CACTVS | 3.370 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCNC(=O)C[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(C5)C4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CC34CC5CC(C3)CC(C5)C4 |
| InChI | InChI | 1.03 | InChI=1S/C32H47N3O3S/c1-35(2)29-13-9-12-28-27(29)11-10-14-30(28)39(37,38)34-16-8-6-4-3-5-7-15-33-31(36)23-32-20-24-17-25(21-32)19-26(18-24)22-32/h9-14,24-26,34H,3-8,15-23H2,1-2H3,(H,33,36)/t24-,25+,26-,32- |
| InChIKey | InChI | 1.03 | TVVCEXXSODKKQE-VGUGBWKQSA-N |
