C3Q
Summary
| Name: | N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide |
| Formula: | C33 H49 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 567.825 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]propanamide |
| OpenEye OEToolkits | 1.7.0 | 3-(1-adamantyl)-N-[8-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]octyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)CCC35CC4CC(CC(C3)C4)C5 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCNC(=O)CC[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4 |
| SMILES | CACTVS | 3.370 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCNC(=O)CC[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)CCC34CC5CC(C3)CC(C5)C4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)CCC34CC5CC(C3)CC(C5)C4 |
| InChI | InChI | 1.03 | InChI=1S/C33H49N3O3S/c1-36(2)30-13-9-12-29-28(30)11-10-14-31(29)40(38,39)35-18-8-6-4-3-5-7-17-34-32(37)15-16-33-22-25-19-26(23-33)21-27(20-25)24-33/h9-14,25-27,35H,3-8,15-24H2,1-2H3,(H,34,37)/t25-,26+,27-,33+ |
| InChIKey | InChI | 1.03 | WYIWVDLFMCQXIE-ITPBCFKRSA-N |
