G69
Summary
| Name: | N-[(2S)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonami de |
| Synonyms: | (S)-N-(5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamid e |
| Formula: | C18 H22 F3 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 417.446 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide |
| OpenEye OEToolkits | 1.7.0 | N-[(2S)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC3Cc1c(cc(cc1)Cn2nc(c(c2)CO)C(F)(F)F)C3)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[S](=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(n3)C(F)(F)F)cc2C1 |
| SMILES | CACTVS | 3.370 | CC(C)[S](=O)(=O)N[CH]1Cc2ccc(Cn3cc(CO)c(n3)C(F)(F)F)cc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO |
| InChI | InChI | 1.03 | InChI=1S/C18H22F3N3O3S/c1-11(2)28(26,27)23-16-6-13-4-3-12(5-14(13)7-16)8-24-9-15(10-25)17(22-24)18(19,20)21/h3-5,9,11,16,23,25H,6-8,10H2,1-2H3/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | QMPOXUWXLXEAHD-INIZCTEOSA-N |
