CGZ
Summary
| Name: | N-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide |
| Formula: | C14 H19 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 309.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(5~{S})-5-(4,5-dihydro-1~{H}-imidazol-2-yl)-2-oxidanyl-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CS(=O)(=O)Nc1c(O)ccc2C(CCCc21)C1=NCCN1 |
| InChI | InChI | 1.06 | InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | OQFCXJDXHCDLHX-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Nc1c(O)ccc2[C@H](CCCc12)C3=NCCN3 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Nc1c(O)ccc2[CH](CCCc12)C3=NCCN3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1c(ccc2c1CCC[C@@H]2C3=NCCN3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1c(ccc2c1CCCC2C3=NCCN3)O |
