557
Summary
| Name: | N-[(2S)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide |
| Synonyms: | (R)-N-(2-(4-(4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)propyl)propane-2-sulfonamide |
| Formula: | C17 H22 F3 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 405.435 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2S)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide |
| OpenEye OEToolkits | 1.7.0 | N-[(2S)-2-[4-[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propyl]propane-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NCC(c1ccc(cc1)n2nc(c(c2)CO)C(F)(F)F)C)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[S](=O)(=O)NC[C@@H](C)c1ccc(cc1)n2cc(CO)c(n2)C(F)(F)F |
| SMILES | CACTVS | 3.370 | CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)n2cc(CO)c(n2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO |
| InChI | InChI | 1.03 | InChI=1S/C17H22F3N3O3S/c1-11(2)27(25,26)21-8-12(3)13-4-6-15(7-5-13)23-9-14(10-24)16(22-23)17(18,19)20/h4-7,9,11-12,21,24H,8,10H2,1-3H3/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | JXMBLTBPIRRCAZ-GFCCVEGCSA-N |
