PDB CCD ID: | AZX |
Number of entries in BioLiP: | 1 |
Chemical formula: | C19 H18 Cl F3 N2 O5 S |
InChI: | InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1 |
InChIKey: | DTDZLJHKVNTQGZ-GOSISDBHSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.341 | CN(C)C(=O)c1ccc(cc1)[S](=O)(=O)c2ccc(NC(=O)[C](C)(O)C(F)(F)F)c(Cl)c2 | CACTVS 3.341 | CN(C)C(=O)c1ccc(cc1)[S](=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2 | OpenEye OEToolkits 1.5.0 | CC(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O | OpenEye OEToolkits 1.5.0 | C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O | ACDLabs 10.04 | Clc1cc(ccc1NC(=O)C(O)(C)C(F)(F)F)S(=O)(=O)c2ccc(C(=O)N(C)C)cc2 |
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Name: | 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE |
ChEMBL: | CHEMBL1231132 |
DrugBank: | DB07403 |
ZINC: | ZINC000001547088 |