| PDB CCD ID: | QZC |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C21 H21 Cl N4 O3 S |
| InChI: | InChI=1S/C21H21ClN4O3S/c1-25(2)30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)24-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19H,12-13H2,1-2H3,(H,24,27)/t19-/m1/s1 |
| InChIKey: | POHNQKSSAWVPGD-LJQANCHMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN(C)[S](=O)(=O)N1C[C@@H](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1 | | ACDLabs 12.01 | CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | OpenEye OEToolkits 2.0.7 | CN(C)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl | | OpenEye OEToolkits 2.0.7 | CN(C)S(=O)(=O)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl | | CACTVS 3.385 | CN(C)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1 |
|
| Name: | (4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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