| PDB CCD ID: | TQ8 |
| Number of entries in BioLiP: | 11 |
| Chemical formula: | C17 H18 Cl N O3 S |
| InChI: | InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1 |
| InChIKey: | MQUQNUAYKLCRME-INIZCTEOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl | | OpenEye OEToolkits 1.6.1 | Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl | | CACTVS 3.352 | Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CCl | | CACTVS 3.352 | Cc1ccc(cc1)[S](=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl |
|
| Name: | N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide;
CAS329306 |
| ChEMBL: | CHEMBL60718 |
| ZINC: | ZINC000000901254 |
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