| PDB CCD ID: | 557 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H22 F3 N3 O3 S |
| InChI: | 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: | JXMBLTBPIRRCAZ-GFCCVEGCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO | | CACTVS 3.370 | CC(C)[S](=O)(=O)NC[C@@H](C)c1ccc(cc1)n2cc(CO)c(n2)C(F)(F)F | | OpenEye OEToolkits 1.7.0 | C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO | | ACDLabs 12.01 | O=S(=O)(NCC(c1ccc(cc1)n2nc(c(c2)CO)C(F)(F)F)C)C(C)C | | CACTVS 3.370 | CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)n2cc(CO)c(n2)C(F)(F)F |
|
| Name: | N-[(2S)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide;
(R)-N-(2-(4-(4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)propyl)propane-2-sulfonamide |
| ZINC: | ZINC000058633608 |
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