| PDB CCD ID: | GSX |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H22 Cl N3 O5 S3 |
| InChI: | InChI=1S/C19H22ClN3O5S3/c1-12(18(24)22-8-10-28-11-9-22)23-7-6-13(19(23)25)21-31(26,27)17-5-3-15(30-17)14-2-4-16(20)29-14/h2-5,12-13,21H,6-11H2,1H3/t12-,13-/m0/s1 |
| InChIKey: | NAHOZYBRUMVDSR-STQMWFEESA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | Clc4sc(c1sc(cc1)S(=O)(=O)NC3C(=O)N(C(C(=O)N2CCOCC2)C)CC3)cc4 | | OpenEye OEToolkits 1.5.0 | C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl | | CACTVS 3.341 | C[CH](N1CC[CH](N[S](=O)(=O)c2sc(cc2)c3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4 | | CACTVS 3.341 | C[C@H](N1CC[C@H](N[S](=O)(=O)c2sc(cc2)c3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4 | | OpenEye OEToolkits 1.5.0 | CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl |
|
| Name: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE |
| ChEMBL: | CHEMBL220171 |
| ZINC: | ZINC000014965148 |
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