PDB CCD ID: | 5DU |
Number of entries in BioLiP: | 4 |
Chemical formula: | C17 H17 F3 N2 O3 S2 |
InChI: | InChI=1S/C17H17F3N2O3S2/c18-12-13(19)17(27(21,24)25)15(14(20)16(12)26-8-7-23)22-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,22-23H,5-8H2,(H2,21,24,25)/t11-/m0/s1 |
InChIKey: | HYCVHVOZJGSFTR-NSHDSACASA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | Fc1c(c(c(F)c(c1NC2CCc3c2cccc3)S(=O)(=O)N)F)SCCO | CACTVS 3.385 | N[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1N[CH]2CCc3ccccc23 | CACTVS 3.385 | N[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1N[C@H]2CCc3ccccc23 | OpenEye OEToolkits 1.9.2 | c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F | OpenEye OEToolkits 1.9.2 | c1ccc2c(c1)CCC2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F |
|
Name: | 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide |
ZINC: | ZINC000209017252 |