DBR
Summary
| Name: | ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-BUTYL-AMIDE |
| Formula: | C27 H37 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 483.666 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S,5S,7S)-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide |
| OpenEye OEToolkits | 1.5.0 | N-[4-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]butyl]adamantane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCNC(=O)C35CC4CC(CC(C3)C4)C5 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCNC(=O)C34CC5CC(CC(C5)C3)C4 |
| SMILES | CACTVS | 3.341 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCNC(=O)C34CC5CC(CC(C5)C3)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)C34CC5CC(C3)CC(C5)C4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)C34CC5CC(C3)CC(C5)C4 |
| InChI | InChI | 1.03 | InChI=1S/C27H37N3O3S/c1-30(2)24-9-5-8-23-22(24)7-6-10-25(23)34(32,33)29-12-4-3-11-28-26(31)27-16-19-13-20(17-27)15-21(14-19)18-27/h5-10,19-21,29H,3-4,11-18H2,1-2H3,(H,28,31)/t19-,20+,21-,27- |
| InChIKey | InChI | 1.03 | RCSLIFYNVZXHOC-PHWDIDRRSA-N |
