| PDB CCD ID: | MSI |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C20 H20 N2 O5 S |
| InChI: | InChI=1S/C20H20N2O5S/c1-21-18-10-9-16(12-17(18)19(23)20(21)24)28(25,26)22-11-5-6-14(22)13-27-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1 |
| InChIKey: | PFAYCUAUBOGVDX-AWEZNQCLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)[N@@]3CCC[C@H]3COc4ccccc4 | | CACTVS 3.341 | CN1C(=O)C(=O)c2cc(ccc12)[S](=O)(=O)N3CCC[C@H]3COc4ccccc4 | | CACTVS 3.341 | CN1C(=O)C(=O)c2cc(ccc12)[S](=O)(=O)N3CCC[CH]3COc4ccccc4 | | ACDLabs 10.04 | O=S(=O)(c2cc1C(=O)C(=O)N(c1cc2)C)N4C(COc3ccccc3)CCC4 | | OpenEye OEToolkits 1.5.0 | CN1c2ccc(cc2C(=O)C1=O)S(=O)(=O)N3CCCC3COc4ccccc4 |
|
| Name: | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE |
| ChEMBL: | CHEMBL293034 |
| DrugBank: | DB08213 |
| ZINC: | ZINC000003870526 |
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