| PDB CCD ID: | GSK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H24 Cl N3 O5 S |
| InChI: | InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1 |
| InChIKey: | ICLOZQFWTRAYPX-LIRRHRJNSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | C[CH](N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4 | | ACDLabs 10.04 | O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)CC4)C | | CACTVS 3.341 | C[C@H](N1CC[C@H](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4 | | OpenEye OEToolkits 1.5.0 | CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl | | OpenEye OEToolkits 1.5.0 | C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl |
|
| Name: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE |
| ChEMBL: | CHEMBL385587 |
| DrugBank: | DB07847 |
| ZINC: | ZINC000014950061 |
