| PDB CCD ID: | GS5 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H22 Cl N3 O5 S2 |
| InChI: | InChI=1S/C19H22ClN3O5S2/c1-12(18(24)22-6-8-28-9-7-22)23-5-4-15(19(23)25)21-30(26,27)17-11-13-10-14(20)2-3-16(13)29-17/h2-3,10-12,15,21H,4-9H2,1H3/t12-,15-/m0/s1 |
| InChIKey: | LTJNKFUIOOJXNJ-WFASDCNBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | C[C@H](N1CC[C@H](N[S](=O)(=O)c2sc3ccc(Cl)cc3c2)C1=O)C(=O)N4CCOCC4 | | ACDLabs 10.04 | O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3sc2ccc(Cl)cc2c3)CC4)C | | OpenEye OEToolkits 1.5.0 | CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl | | OpenEye OEToolkits 1.5.0 | C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl | | CACTVS 3.341 | C[CH](N1CC[CH](N[S](=O)(=O)c2sc3ccc(Cl)cc3c2)C1=O)C(=O)N4CCOCC4 |
|
| Name: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE |
| ChEMBL: | CHEMBL220529 |
| DrugBank: | DB07843 |
| ZINC: | ZINC000014950088 |
