| PDB CCD ID: | A1BF9 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C23 H27 Br Cl F N2 O5 S2 |
| InChI: | InChI=1S/C23H27BrClFN2O5S2/c1-16(9-14-34(2,30)31)27-22(29)23(26)10-12-28(13-11-23)35(32,33)21-8-7-17(24)15-19(21)18-5-3-4-6-20(18)25/h3-8,15-16H,9-14H2,1-2H3,(H,27,29)/t16-/m0/s1 |
| InChIKey: | RBHNKTBCOAXEQK-INIZCTEOSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 14.52 | FC1(CCN(CC1)S(=O)(=O)c1ccc(Br)cc1c1ccccc1Cl)C(=O)NC(C)CCS(C)(=O)=O | | OpenEye OEToolkits 3.1.0.0 | C[C@H](CCS(=O)(=O)C)NC(=O)C1(CCN(CC1)S(=O)(=O)c2ccc(cc2c3ccccc3Cl)Br)F | | CACTVS 3.385 | C[C@H](CC[S](C)(=O)=O)NC(=O)C1(F)CCN(CC1)[S](=O)(=O)c2ccc(Br)cc2c3ccccc3Cl | | OpenEye OEToolkits 3.1.0.0 | CC(CCS(=O)(=O)C)NC(=O)C1(CCN(CC1)S(=O)(=O)c2ccc(cc2c3ccccc3Cl)Br)F | | CACTVS 3.385 | C[CH](CC[S](C)(=O)=O)NC(=O)C1(F)CCN(CC1)[S](=O)(=O)c2ccc(Br)cc2c3ccccc3Cl |
|
| Name: | 1-[(1P)-5-bromo-2'-chloro[1,1'-biphenyl]-2-sulfonyl]-4-fluoro-N-[(2S)-4-(methanesulfonyl)butan-2-yl]piperidine-4-carboxamide |
