C4H
Summary
| Name: | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE |
| Synonyms: | N-[2-(5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO)BUTHYL]-3-MERCAPTOPROPIONAMIDE |
| Formula: | C19 H27 N3 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 409.566 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]-3-sulfanylpropanamide |
| OpenEye OEToolkits | 1.5.0 | N-[4-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]butyl]-3-sulfanyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)CCS |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCNC(=O)CCS |
| SMILES | CACTVS | 3.341 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCNC(=O)CCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS |
| InChI | InChI | 1.03 | InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23) |
| InChIKey | InChI | 1.03 | XPCVYJATJSZGJU-UHFFFAOYSA-N |
